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OpenMM Tabulated Function #175

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benbattraw opened this issue Mar 23, 2020 · 0 comments
Open

OpenMM Tabulated Function #175

benbattraw opened this issue Mar 23, 2020 · 0 comments

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@benbattraw
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Hi,

I am currently using ForceBalance with OpenMM and I am trying to optimize the parameters for a custom nonbonded force that uses a tabulated function. The parameters for each atom type do not need to be optimized, but the values inside of the tabulated function do. Is there a way for ForceBalance to optimize the values of the tabulated function and if there isn't, is there a way to add that functionality?

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