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cgenff2pmx.py is a code to parse and merge .itp and .prm from cgenff_charmm2gmx.py to a single pmx-readable .itp

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cgenff2pmx.py is a code to parse and merge .itp and .prm from cgenff_charmm2gmx.py to a single pmx-readable .itp

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  • Python 100.0%