hanxvtheone

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    hanxvtheone/SITS version of PLUMED-2.5.1

    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.

    hanxvtheone/SITS version of SANDER in AMBER18

    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.

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