Switched from psfgen to autopsf for better handling of multiple chains

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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Switched from psfgen to autopsf for better handling of multiple chains #2

Closed jamesmkrieger closed 6 years ago

jamesmkrieger commented 6 years ago

The previous version only worked with multiple chains if they didn't have matching residue numbers.

jamesmkrieger commented 6 years ago

I have found a way to squash commits together now and forced the push so that happened. This should now make my commits nicer and tidier.

cihankayacihan commented 6 years ago

Very nice.