_SUPPORTED_FORCES included CustomTorsionForce

Psivant / femto

A comprehensive toolkit for predicting free energies

https://psivant.github.io/femto/

MIT License

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_SUPPORTED_FORCES included CustomTorsionForce #20

Open Dan-Burns opened 2 months ago

Dan-Burns commented 2 months ago

Hi, Setting up a simulation including Zn with amber14 causes the system to be parameterized with CustomTorsionForce instead of PeriodicTorsionForce. Could _create_torsion_force be modified to accept CustomTorsionForce?

Thank you, Dan