Modified version of plumed-2.5.1. People can use this version to perform QM/MM SITS simulation combined with a modified version of SANDER.
最近更新: 接近4年前Modified version of SANDER in AMBER 18 for semi-empirical QM/MM (DFTB, PM3, PM6, etc) SITS simulation. Need to combine with a modified version of PLUMED2 plug-in.
最近更新: 接近4年前
