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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
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turn on PBC for bonded terms #78

Closed Whitford closed 1 year ago

Whitford commented 1 year ago

It has been noted that contacts are not periodic. While this is ok for most purposes, there will be cases where the molecule approaches the boundary and the contacts will need to be treated periodically.

Whitford commented 1 year ago

this has been resolved in the git version