[gmx-users] CHARMM or AMBETR forcefield for methylated glutamine and glutamic acid.
gyorgy.hantal at univie.ac.at
Wed Feb 6 15:38:26 CET 2019
I think you should be able to do that if there are (and I think there
should be) corresponding entries in the chramm/amber rtp file.
If this sounds alien to you, try find out what is the way to generate
topologies from a residue database (e.g. gromacs manual or tutorials).
Hope this sounds sensible.
On Wed, 6 Feb 2019 at 14:57, himanshu joshi <himanshujoshi535 at gmail.com>
> Dear all,
> I want to do the MD simulation of a protein with methylated glutamine and
> glutamic acid using CHARMM force field in GROMACS. Is it possible to get
> the GROMACS supported topology file and the parameters for CHARMM or AMBETR
> forcefield for methylated glutamine and glutamic acid.
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Gyorgy Hantal, PhD
Dept. of Computational Physics, University of Vienna
Sensengasse 8/9, 1090 Wien, Austria
gyorgy.hantal at univie.ac.at <gyorgy.hantal at gmail.com>
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