[gmx-users] angle force constant in mdp file?
dmobley at gmail.com
Mon Jun 13 21:08:45 CEST 2005
Dear Gromacs users and team,
Concerning restraints, does anyone know why there isn't an option in
the mdp files currently for changing angle restraint force constants?
For example, dihre-fc and disre_fc are valid options and change the
multiplier of the force constant specified in the topology file, but
there doesn't seem to be a corresponding parameter for the angle force
Does such a parameter exist? If not, does anyone know why not and if
this would be expected in the future?
I'm just interested in doing a bunch of runs with slightly different
restraint forces, and it is (obviously) more annoying to have to go in
and manually edit the topology file for each different combination of
restraint forces than to be able to specify this in the input file.
More information about the gromacs.org_gmx-users