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Update global parameters in a CustomBondForce #263

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merged 1 commit into from
Jan 31, 2023

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jthorton
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@jthorton jthorton commented Aug 9, 2022

A CustomBondForce is commonly used to implement scaled14 interactions excluded from a CustomNonbondedForce and can contain different global parameters, for example, the scale parameter to scale the interactions by. This PR also checks the custom bond force for global parameters when copying forces to a new openmm system. See this issue openforcefield/smirnoff-plugins#36

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leeping commented Jan 31, 2023

This looks good to me. Sorry for the extremely late review. I'll merge it now!

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2 participants