Skip to content

UWPRG/aimless_shooting

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

96 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

ASLM: Aimless Shooting Likelihood Maximization

Build Status Coverage Status

Python code for Aimless Shooting adapted from "Obtaining reaction coordinates by likelihood maximization" from Peters and Trout doi: 10.1063/1.2234477. This package is developed and maintained by Sarah Alamdari and Luke Gibson, members of the Pfaendtner Research Group.

Requirements

**Currently only supports AMBER as the MD engine

  • Amber14
  • Amber14Tools
  • Plumed 2.4.2

Python Requirements

  • numpy

About

No description, website, or topics provided.

Resources

License

Stars

Watchers

Forks

Packages

No packages published

Languages