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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Add support for nucleic acids #78

Open jamesmkrieger opened 2 years ago

jamesmkrieger commented 2 years ago

Selection should be "protein and name CA or nucleic and name P C4' C2" as in the prody anm app

We may want to keep support for coarse grained MD structures with BB nodes too, but at the moment the method doesn't really support them anyway so they should probably be removed