[gmx-users] Re: installing CGenFF in Gromacs

2013-04-09 Thread jbermudez 
I'll check out chapter 5. And look for those scripts that you mention.

Thanks Justin!



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[gmx-users] installing CGenFF in Gromacs

2013-04-08 Thread jbermudez 
Hi!

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
something.

Thanks in advance!



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