Rosa Bulo (REB) SCMSUITE-- SO107: ADded features to GAFF ForcefieldPa…#413
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rebadam wants to merge 1 commit into
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Rosa Bulo (REB) SCMSUITE-- SO107: ADded features to GAFF ForcefieldPa…#413rebadam wants to merge 1 commit into
rebadam wants to merge 1 commit into
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…tch handling - The ForceFieldPatch object (containing a subset of GAFF parameters can now: * be created from AMBER frcmod format * Allows extraction of parameter subset)
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This is all used by the atomtyping tool, and some other things related to the Forcefield Engine. There are no PLAMS unittests for this. I will think about adding tests later, but for now I need the functionality in atomtyping. It will be tested there. |
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…tch handling