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smog-server / OpenSMOG

OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
MIT License
11 stars 6 forks source link

PBC #47

Closed Whitford closed 2 years ago

Whitford commented 2 years ago

We should add an easy way for turning on/off PBCs. Basically, we should work on easily allowing for all common options to be turned on and off, without needing to know openMM.

Whitford commented 2 years ago

see issue #52