Update global parameters in a CustomBondForce#263
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leeping merged 1 commit intoleeping:masterfrom Jan 31, 2023
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This looks good to me. Sorry for the extremely late review. I'll merge it now! |
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CustomBondForceis commonly used to implement scaled14 interactions excluded from aCustomNonbondedForceand 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