bug fix for initial minimization for walker 2

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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bug fix for initial minimization for walker 2 #59

Closed jamesmkrieger closed 5 years ago

jamesmkrieger commented 5 years ago

This also includes handling of Martini coarse grained models where the calpha position represents the backbone and is called BB.