[gmx-users] installing CGenFF in Gromacs

jbermudez bto89meister at gmail.com
Tue Apr 9 01:56:36 CEST 2013


I'm interested in using CHARMM's General Force Field for organic molecules
(CGenFF) in Gromacs.

For that, I've downloaded the files top_all36_cgenff.rtf,
par_all36_cgenff.prm (from http://mackerell.umaryland.edu/~kenno/cgenff/)
which, correspond to the topology and parameters files respectively (both
files in CHARMM native formats).

Are these the correct files to install the CGenFF?
Should I do something with these files to be readable by Gromacs?
Where should I place these files in order get them installed?

I would appreciate any guidance or correction if I'm misinterpreting

Thanks in advance!

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