[gmx-users] GMX manually generate topology for residues

Mark Abraham mark.j.abraham at gmail.com
Fri Nov 1 10:34:12 CET 2013


They're http://en.wikipedia.org/wiki/C_preprocessor symbols that are
#defined elsewhere in the directory that contains that .rtp file. The
names/symbols probably map to the original force field literature. grep is
your friend.

Mark


On Fri, Nov 1, 2013 at 6:45 AM, charles <charles at mails.bicpu.edu.in> wrote:

> i am a newbie to gromacs, trying to generate a new rtp entry for my
> residue.
> Bonds, dihedrals of .rtp file has gb_XX....
> what is gb_XX numbers? how can get informations about that?
> How to define those velues for my residues?
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