[gmx-users] gromacs bond restraints

Mark Abraham mark.j.abraham at gmail.com
Thu Jan 16 08:06:36 CET 2014


See chapter four for what is available, and tables in 5.5 for a summary of
their use.

Mark
On Jan 16, 2014 5:11 AM, "Neha Gandhi" <n.gandhiau at gmail.com> wrote:

> How can I impose restraints in gromacs .mdp file or topology file to
> avoid isomerization of the peptide bond at the highest temperatures?
>
> Your help is appreciated
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Curtin Research Fellow,
> School of Biomedical Sciences,
> Curtin University,
> Perth GPO U1987
> Australia
> LinkedIn
> Research Gate
> --
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