[gmx-users] gromacs bond restraints

Neha Gandhi n.gandhiau at gmail.com
Thu Jan 16 05:06:24 CET 2014

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

Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Research Gate

More information about the gromacs.org_gmx-users mailing list