[gmx-users] Restraining two Macromolecules
Arman M. Soufiani
armansoufiani at gmail.com
Wed Oct 17 23:46:33 CEST 2012
Dear Gromacs users,
It might seem a simple problem, however, I could not find a correct way to
define two restrained groups in my .mdp file.
If I include the following an error appears that notifies me that I am not
able to define two restraints!
define = -DPOSRES_1
define = -DPOSRES_2
Do I need to make an index for the collection of the atoms of both groups
and then use one define position restraint for them?!
If yes, I would be happy if you direct me how should I embed it in the .mdp
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