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CP2K_qmmm_input_preparation_scripts
A compilation of useful python scripts to create QM/MM CP2K inputfiles
make_ndx
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qsardb
Java Reference Implementation (Java RI)
chaoyangma24's Repositories
chaoyangma24/make_ndx
For gromacs
chaoyangma24/CP2K_qmmm_input_preparation_scripts
A compilation of useful python scripts to create QM/MM CP2K inputfiles