[gmx-users] Dihedral restraints
ABEL Stephane
Stephane.ABEL at cea.fr
Wed Jan 9 10:13:37 CET 2019
Hello
I would like to apply some dihedral restraints in different residues of my protein during the production stage. For that I have added at the end of the protein itp the section
[ dihedral_restraints ]. Is it enough ? Should I add something else in the mdp ? In other words, how to be sure that the restraints are effectively applied during the run ?
I am using GROMACS 2018.2
Thank in advance and happy new year to all
Stéphane
More information about the gromacs.org_gmx-users
mailing list