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SchniedersLab / forcefieldx

Force Field X - Software for Molecular Biophysics
http://ffx.biochem.uiowa.edu/
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Updated GKEnergyTest with commented notes regarding updated multipole… #232

Closed rcorrigan closed 1 year ago

rcorrigan commented 1 year ago

…s in AMOEBA-BIO-2018 that shifted test energy values slightly away from published numbers