prody / coMD

This package runs collective molecular dynamics simulations, where collective motions from anisotropic network model normal mode analysis drive all-atom dynamics through targeted molecular dynamics simulations and energy minimization
http://prody.csb.pitt.edu/comd/
MIT License
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Revert "added pbc unwrap in case of pbc problems" #74

Closed jamesmkrieger closed 4 years ago

jamesmkrieger commented 4 years ago

Reverts prody/coMD#71

The code in that pull request wasn't tested properly and in fact did not fix the problem it was aimed at fixing.