salomellabres/2020_06_09_online_ambertools4cp2k

QM/MM calculation course using CP2K+GMX (I): Ambertools.

QM/MM calculations using CP2K + GROMACS

1. Ambertools for CP2K

web: https://salomellabres.github.io/2020_06_09_online_ambertools4cp2k/