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These should presumably changed to SMIRNOFF, but I didn't want to make changes that might break the forcefield code. Also the version isn't really for SMIRNOFF, it should be for SMIRNOFF99Frosst, I think.
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I think the intent is that these tags be tied to a SMIRNOFF version spec, specifying which version of the SMIRNOFF format is used, is that right, @jchodera ?
How, ultimately, will we achieve this, @jchodera ? Does it mean that future code changes to ForceField need to maintain backwards compatibility somehow?
There are variety of lines in the SMIRNOFF FFXML files that have the word SMIRFF, such as the following:
These should presumably changed to SMIRNOFF, but I didn't want to make changes that might break the forcefield code. Also the version isn't really for SMIRNOFF, it should be for SMIRNOFF99Frosst, I think.
The text was updated successfully, but these errors were encountered: