[gmx-users] how to convert CGenFF into .itp file?
mailmd2011 at gmail.com
Wed Dec 26 11:35:46 CET 2012
I found the script charmm2gromacs-pvm.py
which claimed could convert the output from CGenFF into Gromacs format.
However, I tried many times and it always failed even with the advices
from previous thread. This script is trying to generate something like
what we see in a complete forcefiled folder instead of a single .itp
file for ligand.
I am just wondering, how can we convert the output from CGenFF into a
single .itp file which is similar to the one from Swissparam?
thank you very much
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