(2) 2020-08-28 Energy decomposition and possible origin of the worse performance of Parsley 1.2.0 in reproducing QM torsion profiles

Owned by Hyesu Jang

Last updated: Aug 28, 2020

1 min read

1. Energy decomposition of the MM torsion profile by MM calculation with Palsley 1.2.0

2. Comparison of bond, angle and proper torsional term

explanation: blah blah