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Proposed .offxml format force fields for forcebalance refit experiments #3

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Proposed .offxml format force fields for forcebalance refit experiments #3

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@jmaat jmaat commented Oct 16, 2020

@pavankum @davidlmobley
Here are the .offxml format force fields proposed for the forcebalance refit experiments

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jmaat commented Oct 17, 2020

Screen Shot 2020-10-16 at 5 21 14 PM

This is the parameter usage analysis for the phenyl set. Only t6i is used for the set. Placement of parameters in .offxml might be incorrect.

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jmaat commented Oct 17, 2020

Screen Shot 2020-10-16 at 5 35 38 PM

Fixed biaryl and combined label

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