[gmx-users] Topology CHarmm

RAHUL SURESH drrahulsuresh at gmail.com
Wed Mar 22 06:46:34 CET 2017


Dear Gromacs users

How to execute the file cgenff_charm2gmx.py file?

I tried

*chmod +x cgenff_charm2gmx.py

No result

** python cgenff_charm2gmx.py

Usage: DRUG drug.mol2 drug.str charmm36.ff

I didnt get any output files


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