hello:
I found the script charmm2gromacs-pvm.py
<http://www.gromacs.org/@api/deki/files/185/=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
best
Albert
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