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  <title>Hexo</title>
  
  
  <link href="https://fy-han.github.io.git/atom.xml" rel="self"/>
  
  <link href="https://fy-han.github.io.git/"/>
  <updated>2022-01-01T07:58:02.067Z</updated>
  <id>https://fy-han.github.io.git/</id>
  
  <author>
    <name>FY-Han</name>
    
  </author>
  
  <generator uri="https://hexo.io/">Hexo</generator>
  
  <entry>
    <title>GROMACS与声音生成</title>
    <link href="https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-GROMACS%E4%B8%8E%E5%A3%B0%E9%9F%B3%E7%94%9F%E6%88%90/"/>
    <id>https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-GROMACS%E4%B8%8E%E5%A3%B0%E9%9F%B3%E7%94%9F%E6%88%90/</id>
    <published>2022-01-01T07:51:40.000Z</published>
    <updated>2022-01-01T07:58:02.067Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="773659f64bb61bfd6dc4249a950f8deec5487f52072a31841a8066dfcc92ee7b">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="gmx" scheme="https://fy-han.github.io.git/tags/gmx/"/>
    
  </entry>
  
  <entry>
    <title>gromacs技巧-测试md速度</title>
    <link href="https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-gromacs%E6%8A%80%E5%B7%A7-%E6%B5%8B%E8%AF%95md%E9%80%9F%E5%BA%A6/"/>
    <id>https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-gromacs%E6%8A%80%E5%B7%A7-%E6%B5%8B%E8%AF%95md%E9%80%9F%E5%BA%A6/</id>
    <published>2022-01-01T07:29:42.000Z</published>
    <updated>2022-01-01T07:38:47.683Z</updated>
    
    <content type="html"><![CDATA[<p>使用<a href="A:\life\blog\source\_posts\科研学习\分子模拟\软件\GMX\2022.1.1-gromacs技巧-测试md速度\gmxbench.sh">脚本</a>测试</p><p>具体说明：<a href="http://bbs.keinsci.com/thread-13861-1-4.html">GROMACS (2019.3 GPU版) 并行效率测试及调试思路 - 分子模拟 (Molecular Modeling) - 计算化学公社 (keinsci.com)</a></p><p>两块显卡相对于一块显卡的提升非常有限。如果装了两块显卡，想有效的利用这两块显卡，最好的办法是每块显卡跑一个独立gmx任务。问题是，这两个独立的gmx会相互干扰么？经过测试，结论是：<strong>cpu核数足够的情况下两块显卡单独运行两个Gromacs任务完全没有影响</strong>。<a href="http://bbs.keinsci.com/thread-13910-1-1.html?tdsourcetag=s_pcqq_aiomsg">JCC,2019</a>的那篇文章中也可以看到，N显卡相对于单显卡的速度几乎就是N倍。</p><p>单Rank下，随着openmp threads数量增多，显卡计算NB+BF的速度最终超过了NB+PME，这是因为1080性能略差，这样CPU并行数量上去之后，CPU计算PME的速度最终能够超过GPU计算PME的速度。而多节点运行事实上不划算</p><p>==<strong>进程=火车，线程=车厢</strong></p><ul><li>线程在进程下行进（单纯的车厢无法运行）</li><li>一个进程可以包含多个线程（一辆火车可以有多个车厢）</li><li>不同进程间数据很难共享（一辆火车上的乘客很难换到另外一辆火车，比如站点换乘）</li><li>同一进程下不同线程间数据很易共享（A车厢换到B车厢很容易）</li><li>进程要比线程消耗更多的计算机资源（采用多列火车相比多个车厢更耗资源）</li><li>进程间不会相互影响，一个线程挂掉将导致整个进程挂掉（一列火车不会影响到另外一列火车，但是如果一列火车上中间的一节车厢着火了，将影响到所有车厢）</li><li>进程可以拓展到多机，进程最多适合多核（不同火车可以开在多个轨道上，同一火车的车厢不能在行进的不同的轨道上）</li><li>进程使用的内存地址可以上锁，即一个线程使用某些共享内存时，其他线程必须等它结束，才能使用这一块内存。（比如火车上的洗手间）－”互斥锁”</li><li>进程使用的内存地址可以限定使用量（比如火车上的餐厅，最多只允许多少人进入，如果满了需要在门口等，等有人出来了才能进去）－“信号量</li></ul>]]></content>
    
    
      
      
    <summary type="html">&lt;p&gt;使用&lt;a href=&quot;A:\life\blog\source\_posts\科研学习\分子模拟\软件\GMX\2022.1.1-gromacs技巧-测试md速度\gmxbench.sh&quot;&gt;脚本&lt;/a&gt;测试&lt;/p&gt;
&lt;p&gt;具体说明：&lt;a href=&quot;http://bbs.ke</summary>
      
    
    
    
    
    <category term="gmx" scheme="https://fy-han.github.io.git/tags/gmx/"/>
    
  </entry>
  
  <entry>
    <title>GROMACS安装报错</title>
    <link href="https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-GROMACS%E5%AE%89%E8%A3%85%E6%8A%A5%E9%94%99/"/>
    <id>https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2022-1-1-GROMACS%E5%AE%89%E8%A3%85%E6%8A%A5%E9%94%99/</id>
    <published>2022-01-01T07:26:40.000Z</published>
    <updated>2022-01-01T07:29:13.116Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" 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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="gmx" scheme="https://fy-han.github.io.git/tags/gmx/"/>
    
  </entry>
  
  <entry>
    <title>bash脚本</title>
    <link href="https://fy-han.github.io.git/blog/2022/1/1/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-Linux-2022-1-1-bash%E8%84%9A%E6%9C%AC/"/>
    <id>https://fy-han.github.io.git/blog/2022/1/1/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-Linux-2022-1-1-bash%E8%84%9A%E6%9C%AC/</id>
    <published>2022-01-01T07:24:47.000Z</published>
    <updated>2022-01-01T07:25:34.413Z</updated>
    
    <content type="html"><![CDATA[<h1 id="Bash教学"><a href="#Bash教学" class="headerlink" title="Bash教学"></a>Bash教学</h1><center> Fengyang Han</center><p><strong>Gitbash</strong>:提供了win下bash的方法</p><h2 id="命令"><a href="#命令" class="headerlink" title="命令"></a>命令</h2><p>可以使用通配符，类似正则表达。并且可以使用<code>|</code>管道符号，将命令组合起来</p><h3 id="整体命令"><a href="#整体命令" class="headerlink" title="整体命令"></a>整体命令</h3><h4 id="ls"><a href="#ls" class="headerlink" title="ls"></a>ls</h4><p><code>ls -a</code>显示全部文件    <code>ls -l</code>列表显示文件    <code>ls -la</code>列表显示全部文件</p><p><code>ls a*</code>显示所有 a*相关文件</p><h4 id="man"><a href="#man" class="headerlink" title="man"></a>man</h4><p>manual 操作手册命令 <code>man ls</code></p><h4 id="help"><a href="#help" class="headerlink" title="help"></a>help</h4><p>帮助命令 <code>--help</code></p><h3 id="路径命令"><a href="#路径命令" class="headerlink" title="路径命令"></a>路径命令</h3><p>rmdir：移除路径     rm -r 递归删除==不要轻易使用rm -rf==    </p><h4 id="文件"><a href="#文件" class="headerlink" title="文件"></a>文件</h4><p>cat: 文件内容查看    touch：创建文件</p><ul><li>head    和  tail    -n [num]</li></ul><p>grep: 检索命令</p><p>grep awk sed</p>]]></content>
    
    
      
      
    <summary type="html">&lt;h1 id=&quot;Bash教学&quot;&gt;&lt;a href=&quot;#Bash教学&quot; class=&quot;headerlink&quot; title=&quot;Bash教学&quot;&gt;&lt;/a&gt;Bash教学&lt;/h1&gt;&lt;center&gt; Fengyang Han&lt;/center&gt;

&lt;p&gt;&lt;strong&gt;Gitbash&lt;/stron</summary>
      
    
    
    
    
    <category term="linux" scheme="https://fy-han.github.io.git/tags/linux/"/>
    
  </entry>
  
  <entry>
    <title>Hello World</title>
    <link href="https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-hello-world/"/>
    <id>https://fy-han.github.io.git/blog/2022/1/1/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-hello-world/</id>
    <published>2022-01-01T06:50:15.006Z</published>
    <updated>2021-03-10T12:20:16.620Z</updated>
    
    <content type="html"><![CDATA[<p>Welcome to <a href="https://hexo.io/">Hexo</a>! This is your very first post. Check <a href="https://hexo.io/docs/">documentation</a> for more info. If you get any problems when using Hexo, you can find the answer in <a href="https://hexo.io/docs/troubleshooting.html">troubleshooting</a> or you can ask me on <a href="https://github.com/hexojs/hexo/issues">GitHub</a>.</p><h2 id="Quick-Start"><a href="#Quick-Start" class="headerlink" title="Quick Start"></a>Quick Start</h2><h3 id="Create-a-new-post"><a href="#Create-a-new-post" class="headerlink" title="Create a new post"></a>Create a new post</h3><figure class="highlight bash"><table><tr><td class="gutter"><pre><span class="line">1</span><br></pre></td><td class="code"><pre><span class="line">$ hexo new <span class="string">&quot;My New Post&quot;</span></span><br></pre></td></tr></table></figure><p>More info: <a href="https://hexo.io/docs/writing.html">Writing</a></p><h3 id="Run-server"><a href="#Run-server" class="headerlink" title="Run server"></a>Run server</h3><figure class="highlight bash"><table><tr><td class="gutter"><pre><span class="line">1</span><br></pre></td><td class="code"><pre><span class="line">$ hexo server</span><br></pre></td></tr></table></figure><p>More info: <a href="https://hexo.io/docs/server.html">Server</a></p><h3 id="Generate-static-files"><a href="#Generate-static-files" class="headerlink" title="Generate static files"></a>Generate static files</h3><figure class="highlight bash"><table><tr><td class="gutter"><pre><span class="line">1</span><br></pre></td><td class="code"><pre><span class="line">$ hexo generate</span><br></pre></td></tr></table></figure><p>More info: <a href="https://hexo.io/docs/generating.html">Generating</a></p><h3 id="Deploy-to-remote-sites"><a href="#Deploy-to-remote-sites" class="headerlink" title="Deploy to remote sites"></a>Deploy to remote sites</h3><figure class="highlight bash"><table><tr><td class="gutter"><pre><span class="line">1</span><br></pre></td><td class="code"><pre><span class="line">$ hexo deploy</span><br></pre></td></tr></table></figure><p>More info: <a href="https://hexo.io/docs/one-command-deployment.html">Deployment</a></p>]]></content>
    
    
      
      
    <summary type="html">&lt;p&gt;Welcome to &lt;a href=&quot;https://hexo.io/&quot;&gt;Hexo&lt;/a&gt;! This is your very first post. Check &lt;a href=&quot;https://hexo.io/docs/&quot;&gt;documentation&lt;/a&gt; for</summary>
      
    
    
    
    
  </entry>
  
  <entry>
    <title>gmx入门3</title>
    <link href="https://fy-han.github.io.git/blog/2021/6/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2021-6-30-gmx%E5%85%A5%E9%97%A83/"/>
    <id>https://fy-han.github.io.git/blog/2021/6/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2021-6-30-gmx%E5%85%A5%E9%97%A83/</id>
    <published>2021-06-30T02:42:08.000Z</published>
    <updated>2021-06-30T02:54:29.829Z</updated>
    
    <content type="html"><![CDATA[<h2 id="继续探索"><a href="#继续探索" class="headerlink" title="继续探索"></a>继续探索</h2><p>网上搜索，注意到提示需要full trajectory file<br>结果突然发现80min后出结果了，</p>]]></content>
    
    
      
      
    <summary type="html">&lt;h2 id=&quot;继续探索&quot;&gt;&lt;a href=&quot;#继续探索&quot; class=&quot;headerlink&quot; title=&quot;继续探索&quot;&gt;&lt;/a&gt;继续探索&lt;/h2&gt;&lt;p&gt;网上搜索，注意到提示需要full trajectory file&lt;br&gt;结果突然发现80min后出结果了，&lt;/p&gt;
</summary>
      
    
    
    
    
    <category term="gmx" scheme="https://fy-han.github.io.git/tags/gmx/"/>
    
  </entry>
  
  <entry>
    <title>linux</title>
    <link href="https://fy-han.github.io.git/blog/2021/6/30/linux/2021.6.30-linux/"/>
    <id>https://fy-han.github.io.git/blog/2021/6/30/linux/2021.6.30-linux/</id>
    <published>2021-06-30T02:27:53.000Z</published>
    <updated>2021-06-30T02:28:16.355Z</updated>
    
    
    
    
    
  </entry>
  
  <entry>
    <title>第十八周至7.4</title>
    <link href="https://fy-han.github.io.git/blog/2021/6/28/2021%E5%91%A8%E6%8A%A5-3%E5%AD%A3%E5%BA%A6-2021-6-28-%E7%AC%AC%E5%8D%81%E5%85%AB%E5%91%A8%E8%87%B37-4-2021-6-28-%E7%AC%AC%E5%8D%81%E5%85%AB%E5%91%A8%E8%87%B37-4/"/>
    <id>https://fy-han.github.io.git/blog/2021/6/28/2021%E5%91%A8%E6%8A%A5-3%E5%AD%A3%E5%BA%A6-2021-6-28-%E7%AC%AC%E5%8D%81%E5%85%AB%E5%91%A8%E8%87%B37-4-2021-6-28-%E7%AC%AC%E5%8D%81%E5%85%AB%E5%91%A8%E8%87%B37-4/</id>
    <published>2021-06-28T12:16:39.000Z</published>
    <updated>2021-07-08T15:05:11.920Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="692c0eab50c760ff5b3bcbaf473924f558948bb9d3484292129d6cc188e65988">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>第十六，十七周至6.27</title>
    <link href="https://fy-han.github.io.git/blog/2021/6/26/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-6-26-%E7%AC%AC%E5%8D%81%E5%85%AD%EF%BC%8C%E5%8D%81%E4%B8%83%E5%91%A8%E8%87%B36-27-2021-6-26-%E7%AC%AC%E5%8D%81%E5%85%AD%EF%BC%8C%E5%8D%81%E4%B8%83%E5%91%A8%E8%87%B36-27/"/>
    <id>https://fy-han.github.io.git/blog/2021/6/26/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-6-26-%E7%AC%AC%E5%8D%81%E5%85%AD%EF%BC%8C%E5%8D%81%E4%B8%83%E5%91%A8%E8%87%B36-27-2021-6-26-%E7%AC%AC%E5%8D%81%E5%85%AD%EF%BC%8C%E5%8D%81%E4%B8%83%E5%91%A8%E8%87%B36-27/</id>
    <published>2021-06-26T08:45:11.000Z</published>
    <updated>2021-07-06T06:46:48.716Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="3a108a2c31f9794b14df391a7dd5176388a1fe67606ca9aef017431938ba121d">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>第十五周至6.13</title>
    <link href="https://fy-han.github.io.git/blog/2021/6/7/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-6-7-%E7%AC%AC%E5%8D%81%E4%BA%94%E5%91%A8%E8%87%B36-13-2021-6-7-%E7%AC%AC%E5%8D%81%E4%BA%94%E5%91%A8%E8%87%B36-13/"/>
    <id>https://fy-han.github.io.git/blog/2021/6/7/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-6-7-%E7%AC%AC%E5%8D%81%E4%BA%94%E5%91%A8%E8%87%B36-13-2021-6-7-%E7%AC%AC%E5%8D%81%E4%BA%94%E5%91%A8%E8%87%B36-13/</id>
    <published>2021-06-07T02:14:22.000Z</published>
    <updated>2021-06-16T01:35:20.017Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="96f1c9ffd4f0dcf19a3e99ed0d55b6d1fbe3211af468e98a871351e8869f35d0">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>第十四周-6.6</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/31/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-31-%E7%AC%AC%E5%8D%81%E5%9B%9B%E5%91%A8-6-6-2021-5-31-%E7%AC%AC%E5%8D%81%E5%9B%9B%E5%91%A8-6-6/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/31/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-31-%E7%AC%AC%E5%8D%81%E5%9B%9B%E5%91%A8-6-6-2021-5-31-%E7%AC%AC%E5%8D%81%E5%9B%9B%E5%91%A8-6-6/</id>
    <published>2021-05-31T03:13:16.000Z</published>
    <updated>2021-06-07T02:09:38.681Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" 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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>chemdraw技巧</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/27/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-%E8%BD%AF%E4%BB%B6%E4%BD%BF%E7%94%A8-2021-5-27-chemdraw%E6%8A%80%E5%B7%A7/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/27/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-%E8%BD%AF%E4%BB%B6%E4%BD%BF%E7%94%A8-2021-5-27-chemdraw%E6%8A%80%E5%B7%A7/</id>
    <published>2021-05-27T10:56:31.000Z</published>
    <updated>2021-06-30T02:34:49.810Z</updated>
    
    <content type="html"><![CDATA[<h2 id="solid-bond"><a href="#solid-bond" class="headerlink" title="solid bond"></a>solid bond</h2><ul><li>按住alt则拉出任意键长</li><li>放在原子上面直接按元素命名，按数字2，3单双键</li></ul><h2 id="lasso-marquee"><a href="#lasso-marquee" class="headerlink" title="lasso/marquee"></a>lasso/marquee</h2><ul><li><p>选择多个整体对象：marquee或者lasso按住shift 双击某个键；双击反应式的箭头选择整个反应</p></li><li><p>marquee时按住alt，则变成lasso功能</p></li></ul><h2 id="排版"><a href="#排版" class="headerlink" title="排版"></a>排版</h2><ul><li>优化结构位置：ctrl+shift+k（多按几次），如果是反应就ctrl+shift+x</li><li>随后用acs模板，再进行对齐</li><li>ctrl+alt+shift+m 上下居中对齐</li><li>ctrl+Alt+shift+l c r 左中右对齐</li><li>水平、竖直移动： 按住shift<ul><li>ctrl+shift+alt+h水平翻转</li><li>ctrl+shift+alt+v垂直翻转</li><li>不加alt就做平面对称<h2 id="p-s"><a href="#p-s" class="headerlink" title="p.s"></a>p.s</h2></li></ul></li><li><p>文字转结构：ctrl+shift+n</p></li><li><p>复制结构：按住ctrl</p></li><li><p>平行复制结构：ctrl+shift</p></li><li><p>热键更改：hotkeys.xml文件，位置在file-preference-directory-chemdraw items 默认隐藏在programdata里</p><ul><li><p>keys</p></li><li><p>bond</p></li><li>generic<br>原则：<br>  1.文件改了名失效（做备份）<br>  2.一次修改一个，确认有效再下一个 </li></ul></li></ul>]]></content>
    
    
      
      
    <summary type="html">&lt;h2 id=&quot;solid-bond&quot;&gt;&lt;a href=&quot;#solid-bond&quot; class=&quot;headerlink&quot; title=&quot;solid bond&quot;&gt;&lt;/a&gt;solid bond&lt;/h2&gt;&lt;ul&gt;
&lt;li&gt;按住alt则拉出任意键长&lt;/li&gt;
&lt;li&gt;放在原子上面直接按元</summary>
      
    
    
    
    
    <category term="chemdraw" scheme="https://fy-han.github.io.git/tags/chemdraw/"/>
    
  </entry>
  
  <entry>
    <title>第十三周 -5.30</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/24/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-24-%E7%AC%AC%E5%8D%81%E4%B8%89%E5%91%A8-5-30-2021-5-24-%E7%AC%AC%E5%8D%81%E4%B8%89%E5%91%A8-5-30/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/24/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-24-%E7%AC%AC%E5%8D%81%E4%B8%89%E5%91%A8-5-30-2021-5-24-%E7%AC%AC%E5%8D%81%E4%B8%89%E5%91%A8-5-30/</id>
    <published>2021-05-24T01:40:42.000Z</published>
    <updated>2021-06-07T02:13:22.454Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="6aa3ee4f03436345a87dac200db7f074820eeaebea4e1d367fc0497074db8a46">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 <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>linux dos (1)</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/18/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-Linux-2021-5-18-linux-dos-1/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/18/%E8%AE%A1%E7%AE%97%E6%9C%BA%E6%8A%80%E6%9C%AF-Linux-2021-5-18-linux-dos-1/</id>
    <published>2021-05-18T09:05:32.000Z</published>
    <updated>2021-06-30T07:02:44.168Z</updated>
    
    <content type="html"><![CDATA[<h2 id="系统命令"><a href="#系统命令" class="headerlink" title="系统命令"></a>系统命令</h2><p>调用管理员权限：su -</p><h2 id="Screen"><a href="#Screen" class="headerlink" title="Screen"></a>Screen</h2><p>screen -S 文件名<br>比nohup好用 screen ctrl+a +d退出 ctrl+r继续 screen -ls有哪些窗口 screen -r 数字恢复</p><ul><li>杀死已经detached进程，screen -ls找到，screen -X -S 数字代号 quit </li></ul><p>用top查看正在进行的进程</p><p>screen命令详解，<a href="https://www.cnblogs.com/mchina/archive/2013/01/30/2880680.html">https://www.cnblogs.com/mchina/archive/2013/01/30/2880680.html</a></p>]]></content>
    
    
      
      
    <summary type="html">&lt;h2 id=&quot;系统命令&quot;&gt;&lt;a href=&quot;#系统命令&quot; class=&quot;headerlink&quot; title=&quot;系统命令&quot;&gt;&lt;/a&gt;系统命令&lt;/h2&gt;&lt;p&gt;调用管理员权限：su -&lt;/p&gt;
&lt;h2 id=&quot;Screen&quot;&gt;&lt;a href=&quot;#Screen&quot; class=&quot;head</summary>
      
    
    
    
    
    <category term="linux" scheme="https://fy-han.github.io.git/tags/linux/"/>
    
  </entry>
  
  <entry>
    <title>第十二周-5.23</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/18/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-18-%E7%AC%AC%E5%8D%81%E4%BA%8C%E5%91%A8-5-23-2021-5-18-%E7%AC%AC%E5%8D%81%E4%BA%8C%E5%91%A8-5-23/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/18/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-18-%E7%AC%AC%E5%8D%81%E4%BA%8C%E5%91%A8-5-23-2021-5-18-%E7%AC%AC%E5%8D%81%E4%BA%8C%E5%91%A8-5-23/</id>
    <published>2021-05-18T08:40:59.000Z</published>
    <updated>2021-05-24T01:43:28.899Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="c95850d36f8687459559606352bd1eda63eed6404bee6d0016f9e0af278bb5f1">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>第十一周-5.16</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/11/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-11-%E7%AC%AC%E5%8D%81%E4%B8%80%E5%91%A8-5-16-2021-5-11-%E7%AC%AC%E5%8D%81%E4%B8%80%E5%91%A8-5-16/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/11/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-11-%E7%AC%AC%E5%8D%81%E4%B8%80%E5%91%A8-5-16-2021-5-11-%E7%AC%AC%E5%8D%81%E4%B8%80%E5%91%A8-5-16/</id>
    <published>2021-05-11T05:56:32.000Z</published>
    <updated>2021-05-26T01:07:05.037Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="8356d1338f0201310c8236c8cbafc7d75bd5cc4b8ff146b9c8d2639982ed33a1">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</script>  <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>第十周-5.9</title>
    <link href="https://fy-han.github.io.git/blog/2021/5/3/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-3-%E7%AC%AC%E5%8D%81%E5%91%A8-5-9-2021-5-3-%E7%AC%AC%E5%8D%81%E5%91%A8-5-9/"/>
    <id>https://fy-han.github.io.git/blog/2021/5/3/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-5-3-%E7%AC%AC%E5%8D%81%E5%91%A8-5-9-2021-5-3-%E7%AC%AC%E5%8D%81%E5%91%A8-5-9/</id>
    <published>2021-05-03T11:36:04.000Z</published>
    <updated>2021-05-18T23:29:30.954Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" 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 <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
  <entry>
    <title>Schrodinger-1.Beginer</title>
    <link href="https://fy-han.github.io.git/blog/2021/4/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-Schrodinger-2021-4-30-Schrodinger-1-Beginer-2021-4-30-Schrodinger-1-Beginer/"/>
    <id>https://fy-han.github.io.git/blog/2021/4/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-Schrodinger-2021-4-30-Schrodinger-1-Beginer-2021-4-30-Schrodinger-1-Beginer/</id>
    <published>2021-04-30T14:38:03.000Z</published>
    <updated>2021-05-02T00:33:56.551Z</updated>
    
    <content type="html"><![CDATA[<ol><li>Startup</li></ol>]]></content>
    
    
      
      
    <summary type="html">&lt;ol&gt;
&lt;li&gt;Startup&lt;/li&gt;
&lt;/ol&gt;
</summary>
      
    
    
    
    
    <category term="mae" scheme="https://fy-han.github.io.git/tags/mae/"/>
    
  </entry>
  
  <entry>
    <title>gmx入门-2.探索nm</title>
    <link href="https://fy-han.github.io.git/blog/2021/4/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2021-4-30-gmx%E5%85%A5%E9%97%A8-2-%E6%8E%A2%E7%B4%A2nm-2021-4-30-gmx%E5%85%A5%E9%97%A8-2-%E6%8E%A2%E7%B4%A2nm/"/>
    <id>https://fy-han.github.io.git/blog/2021/4/30/%E7%A7%91%E7%A0%94%E5%AD%A6%E4%B9%A0-%E5%88%86%E5%AD%90%E6%A8%A1%E6%8B%9F-%E8%BD%AF%E4%BB%B6-GMX-2021-4-30-gmx%E5%85%A5%E9%97%A8-2-%E6%8E%A2%E7%B4%A2nm-2021-4-30-gmx%E5%85%A5%E9%97%A8-2-%E6%8E%A2%E7%B4%A2nm/</id>
    <published>2021-04-30T10:31:23.000Z</published>
    <updated>2021-06-30T06:12:40.623Z</updated>
    
    <content type="html"><![CDATA[<p><img src="https://img.imgdb.cn/item/608bde23d1a9ae528f976e83.png" alt="方向"></p><h2 id="安装双精度"><a href="#安装双精度" class="headerlink" title="安装双精度"></a>安装双精度</h2><ol><li>su - </li><li>yum install epel-release<ul><li>yum install cmake3</li><li>一路 y</li><li>cmake3 /V     如果显示出了3.x的版本号就说明没问题了</li></ul></li><li><a href="http://www.fftw.org/fftw-3.3.8.tar.gz，移到/usr/local/">http://www.fftw.org/fftw-3.3.8.tar.gz，移到/usr/local/</a>   下，gromacs也在这里<ul><li>tar -zxf fftw-3.3.8.tar.gz</li><li>cd fftw-3.3.8</li><li>./configure —prefix=/hfy/fftw338 —enable-sse2 —enable-avx —enable-float —enable-shared —enable-avx2   (这是单精度，双精度从这里开始，流程再走一遍，删掉—enable-float)</li><li>make -j install</li></ul></li><li>cd gromacs-2019.6<ul><li>mkdir build</li><li>cd build</li><li>export CMAKE_PREFIX_PATH=/hfy/fftw338</li><li>cmake3 .. -DCMAKE_INSTALL_PREFIX=/sob/gmx2019.6 -DGMX_GPU=off (在有GPU机器上需要加-DGMX_GPU=off命令,因默认编写gpu版本，再加上-DGMX_DOUBLE=ON命令)</li><li>make -j install</li></ul></li><li>修改用户目录下.bashrc ，末尾加入 source /hfy/gmx2019.6/bin/GMXRC<ul><li>gmx -version 确认</li></ul></li></ol><h2 id="Hessian"><a href="#Hessian" class="headerlink" title="Hessian"></a>Hessian</h2><ul><li><p>Hessian mdp文件（感觉也差不多，但emtol应该0.01或者更小）不过此前的Fmax可能设得太大了<br>  define              = -DFLEXIBLE<br>  constraints         =  none<br>  integrator          =  nm<br>  nsteps              =  10000</p><p>  emtol               =  1.0  ;这里不确定<br>  emstep              =  0.01</p></li></ul><pre><code>ns_type             =  gridpbc                 =  xyznstlist             =  5rlist               =  0.9coulombtype         =  PMEvdwtype             =  Cut-offrvdw                =  0.9Tcoupl = noPcoupl = nogen_vel = no</code></pre><ul><li>准备<br>  gmx grompp -f Hessian.mdp -c npt-pr.gro -p fws.top -o Hessian.tpr<ul><li>感觉不应该，因为这是升温后的结果，应该用能量最小化才能算hessian</li></ul></li></ul><p>因为log里报：<br>    Maximum force: 3.60376e+03<br>    The force is probably not small enough to ensure that you are at a minimum.<br>    Be aware that negative eigenvalues may occur<br>    when the resulting matrix is diagonalized.<br>    Finished mdrun on rank 0 Sun May  2 21:56:50 2021<br>所以全流程重来，在VM里emtol里就降低力的最大值，先试试emtol 100，并在做一次共轭cg，并直接进行真空模拟<br>    1k次收敛到700，3.5k次收敛100</p><ol><li>gmx_d pdb2gmx -f fws.pdb -o fws.gro -p fws.top -i fws.itp -ff amber99sb-ildn -water tip3p -ignh</li><li>gmx_d editconf -f fws.gro -o fws-PB.gro -bt dodecahedron -d 1.2</li><li><p>gmx grompp -f fws-VM1.mdp -c fws-PB.gro -p fws.top -o fws-VM1.tpr -maxwarn 1</p><ul><li>如果这里就使用gmx_d 的话不能快速的收敛，一万步收到94 force，而gmx能3.5k步略多收到400，9.8k步收到25 force，15k步最小化到20</li><li><p>fws-VM1.mdp<br>  ; 传递给预处理器的一些定义<br>  define          = -DFLEXIBLE    ; 使用柔性水模型而非刚性模型, 这样最陡下降法可进一步最小化能量</p><p>  ; 模拟类型, 结束控制, 输出控制参数<br>  integrator      = steep         ; 指定使用最陡下降法进行能量最小化. 若设为<code>cg</code>则使用共轭梯度法<br>  emtol           = 20            ; 若力的最大值小于此值则认为能量最小化收敛(单位kJ mol^-1^ nm^-1^)<br>  emstep          = 0.01          ; 初始步长(nm)<br>  nsteps          = 4000          ; 在能量最小化中, 指定最大迭代次数<br>  nstenergy       = 10            ; 能量写出频率<br>  energygrps      = System        ; 要写出的能量组</p><p>  ; 近邻列表, 相互作用计算参数<br>  nstlist         = 1             ; 更新近邻列表的频率. 1表示每步都更新<br>  ns_type         = grid          ; 近邻列表确定方法(simple或grid)<br>  coulombtype     = PME           ; 计算长程静电的方法. PME为粒子网格Ewald方法, 还可以使用cut-off<br>  rlist           = 1.0           ; 短程力近邻列表的截断值<br>  rcoulomb        = 1.0           ; 长程库仑力的截断值<br>  vdwtype         = cut-off       ; 计算范德华作用的方法<br>  rvdw            = 1.0           ; 范德华距离截断值<br>  constraints     = none          ; 设置模型中使用的约束<br>  pbc             = xyz           ; 3维周期性边界条件<br>  cutoff-scheme   = Verlet        ; 版本不加这个会有一个note提醒</p></li></ul></li><li><p>gmx mdrun -v -deffnm fws-VM1</p></li><li><p>gmx_d grompp -f fws-VM2.mdp -c fws-VM1.gro -p fws.top -o fws-VM2.tpr -maxwarn 1</p><ul><li><p>fws-VM2.mdp<br>  ; 传递给预处理器的一些定义<br>  define          = -DFLEXIBLE    ; 使用柔性水模型而非刚性模型, 这样最陡下降法可进一步最小化能量</p><p>  ; 模拟类型, 结束控制, 输出控制参数<br>  integrator      = cg            ; 指定使用最陡下降法进行能量最小化. 若设为<code>cg</code>则使用共轭梯度法<br>  emtol           = 1.0         ; 若力的最大值小于此值则认为能量最小化收敛(单位kJ mol^-1^ nm^-1^)<br>  emstep          = 0.01          ; 初始步长(nm)<br>  nsteps          = 10000         ; 在能量最小化中, 指定最大迭代次数<br>  nstenergy       = 20            ; 能量写出频率<br>  energygrps      = System        ; 要写出的能量组</p><p>  ; 近邻列表, 相互作用计算参数<br>  nstlist         = 1             ; 更新近邻列表的频率. 1表示每步都更新<br>  ns_type         = grid          ; 近邻列表确定方法(simple或grid)<br>  coulombtype     = PME           ; 计算长程静电的方法. PME为粒子网格Ewald方法, 还可以使用cut-off<br>  rlist           = 1.0           ; 短程力近邻列表的截断值<br>  rcoulomb        = 1.0           ; 长程库仑力的截断值<br>  vdwtype         = cut-off       ; 计算范德华作用的方法<br>  rvdw            = 1.0           ; 范德华距离截断值<br>  constraints     = none          ; 设置模型中使用的约束<br>  pbc             = xyz           ; 3维周期性边界条件</p></li></ul></li><li><p>gmx_d mdrun -v -deffnm fws-VM2</p><ul><li><p>没装双精度报错：<br>  Energy minimization has stopped, but the forces have not converged to the<br>  requested precision Fmax &lt; 1 (which may not be possible for your system). It<br>  stopped because the algorithm tried to make a new step whose size was too<br>  small, or there was no change in the energy since last step. Either way, we<br>  regard the minimization as converged to within the available machine<br>  precision, given your starting configuration and EM parameters.</p><p>  Double precision normally gives you higher accuracy, but this is often not<br>  needed for preparing to run molecular dynamics.</p><p>  writing lowest energy coordinates.</p><p>  Polak-Ribiere Conjugate Gradients converged to machine precision in 3590 steps,<br>  but did not reach the requested Fmax &lt; 1.<br>  Potential Energy  = -3.9830898e+03<br>  Maximum force     =  3.4626892e+01 on atom 493<br>  Norm of force     =  4.0448758e+00</p></li><li>9.6k步收敛到1</li></ul></li><li><p>Hessian mdp</p><pre><code> define              =  -DFLEXIBLE constraints         =  none integrator          =  nm nsteps              =  10000 emtol               =  0.01  emstep              =  0.01</code></pre></li></ol><pre><code>    ns_type             =  grid    pbc                 =  xyz    nstlist             =  5    rlist               =  0.9    coulombtype         =  PME    vdwtype             =  Cut-off    rvdw                =  0.9</code></pre><ol><li>gmx_d grompp -f Hessian.mdp -c fws-VM2.gro -p fws.top -o Hessian.tpr -maxwarn 1<ul><li>报错，需要后续修正<br>WARNING 1 [file fws.top, line 4771]:<br>You are using Ewald electrostatics in a system with net charge. This can<br>lead to severe artifacts, such as ions moving into regions with low<br>dielectric, due to the uniform background charge. We suggest to<br>neutralize your system with counter ions, possibly in combination with a<br>physiological salt concentration.</li></ul></li><li>gmx_d mdrun -v -s Hessian.tpr -o H-traj.trr -c confout.gro -e ener.edr -g md.log -mtx nm.mtx<ul><li>突然报错，因为maximum force 691 所以不给我做了……，也不是不给，就是生成的特别小一个matrix，而且很明显这个力太大了，应该0.01以下的</li><li>试试VM1,2阶段再小点</li><li>VM1 23k步到极限了，</li><li>试试gmx VM1然后 gmx_d VM1-1继续小，然后gmx_d VM2<ul><li>VM1 13k到 17 设为20</li><li>gmx_d VM1-1 45k步到8 设为9</li><li>gmx_d VM2 cg法 17k步＜0.1 47k步0.086</li></ul></li><li>然而跑了又报错maximum force 671……</li><li>不过也许没事</li></ul></li><li>gmx_d nmeig -f nm.mtx -s Hessian.tpr -of eigenfreq.xvg -ol eigenval.xvg -os spectrum.xvg -v eigenvec.trr -last -1</li></ol><ul><li>有人建议使用elastic model，但是由于电势不来自实验，EF是任意的，不过网站还在架构中</li><li>编译时默认就是编译出能单机并行的，你一看CPU占用率就知道。计算时默认会用机子上所有核心，人为指定要用的核数的话用-nt选项。</li><li><p>只出50个结果，溶剂条件全是0，真空下有4个0，是低频结果</p></li><li><p>“电子能量”包括四项：(1)电子的动能(2)电子与电子间的库仑互斥能(3)核与核之间的库仑互斥能(4)电子与核之间的库仑吸引能。所以一般所说的“电子能量”其实并不完全是它的字面意思，因为也把核之间的互斥能包含了进去。</p><ul><li>电子能量的能量零点是假设核与电子都没有动能，体系中所有电子和原子核都被分离到无穷远的情况的能量。这个能量也可以被视为是体系的绝对能量</li><li>单点能：某一构型的电子总能量，不包括零点能     总能量 = 单点能 + 零点能（振动频率和的一半，忽略非谐性）<pre><code>  = V0 + 1/2 h（k/m）^0.5  = 单点能 + 1/2 v</code></pre></li></ul></li></ul><h2 id="改进思路"><a href="#改进思路" class="headerlink" title="改进思路"></a>改进思路</h2><p>问题：freq全是0，得不到数值</p><ol><li><p>师兄说可能是蛋白质结构没有能量最小化，也可能是结构异常<br> 1.1 确证有无能量最小化</p><pre><code> 1.1.1 报maximum force错误，教程里有建议跑很久 1.1.2 试图消除报的错     1.1.2.1 加一个cutoff-scheme   = Verlet，再加一个genion，邻居搜索改成0（真空），但看漏斗网蜘蛛毒素溶剂化研究教程里，指出如果进行真空溶剂化，就需要这样     1.1.2.2 直接真空把emtol放到10以内很难实现，应该要跑很久，所以现收敛到500，在正式模拟中再提高精度，似乎以前没有做最后一步成品模拟     - 生成拓扑文件     - 真空能量最小化     - 做6w cg法最大力下降到0.01         期间使用         gmx energy -f file.edr -o file.xvg         xmgrace file.xvg         查看能量下降图（可以中途使用editconf -f file.gro -o file.pdb 进行转换     - 再做hessian还是力700，大了     - 试着11.5w步，进一步下降到0.001 emtol最大力为732，反而之前的最大力为713……     VM1：力 713.357   VM2 828 VM2-1 713.04 VM3 819.37 VM3-1 749.25 VM3-2 731.95     使用dump中途输出一下frequency（看是否可用）         gmx dump -f xxx.trr -om xxx.mdp &gt;&gt;xxx.txt     试试用大的计算一下？         gmx nmeig nm.mtx</code></pre><p> 1.2 检查结构</p></li><li></li></ol>]]></content>
    
    
      
      
    <summary type="html">&lt;p&gt;&lt;img src=&quot;https://img.imgdb.cn/item/608bde23d1a9ae528f976e83.png&quot; alt=&quot;方向&quot;&gt;&lt;/p&gt;
&lt;h2 id=&quot;安装双精度&quot;&gt;&lt;a href=&quot;#安装双精度&quot; class=&quot;headerlink&quot; title=</summary>
      
    
    
    
    
    <category term="gmx" scheme="https://fy-han.github.io.git/tags/gmx/"/>
    
  </entry>
  
  <entry>
    <title>第九周-5.2</title>
    <link href="https://fy-han.github.io.git/blog/2021/4/26/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-4-26-%E7%AC%AC%E4%B9%9D%E5%91%A8-5-2-2021-4-26-%E7%AC%AC%E4%B9%9D%E5%91%A8-5-2/"/>
    <id>https://fy-han.github.io.git/blog/2021/4/26/2021%E5%91%A8%E6%8A%A5-2%E5%AD%A3%E5%BA%A6-2021-4-26-%E7%AC%AC%E4%B9%9D%E5%91%A8-5-2-2021-4-26-%E7%AC%AC%E4%B9%9D%E5%91%A8-5-2/</id>
    <published>2021-04-26T08:33:05.000Z</published>
    <updated>2021-05-03T01:47:45.147Z</updated>
    
    <content type="html"><![CDATA[<div class="hbe hbe-container" id="hexo-blog-encrypt" data-wpm="Oh, this is an invalid password. Check and try again, please." data-whm="OOPS, these decrypted content may changed, but you can still have a look.">  <script id="hbeData" type="hbeData" data-hmacdigest="1512cb48c8cb097f030b9f81369df120c219f21dbea3c2884d4c0ea7c09d59f6">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 <div class="hbe hbe-content">    <div class="hbe hbe-input hbe-input-default">      <input class="hbe hbe-input-field hbe-input-field-default" type="password" id="hbePass">      <label class="hbe hbe-input-label hbe-input-label-default" for="hbePass">        <span class="hbe hbe-input-label-content hbe-input-label-content-default">Hey, password is required here.</span>      </label>    </div>  </div></div><script data-pjax src="/lib/hbe.js"></script><link href="/css/hbe.style.css" rel="stylesheet" type="text/css">]]></content>
    
    
    <summary type="html">Here&#39;s something encrypted, password is required to continue reading.</summary>
    
    
    
    
    <category term="周报" scheme="https://fy-han.github.io.git/tags/%E5%91%A8%E6%8A%A5/"/>
    
  </entry>
  
</feed>