[gmx-users] orientational relaxation

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Apr 12 07:54:05 CEST 2011

Hi Daniel,

If you want to fix the com position, specify the molecule as comm-grps. If
you really don't want movement of the com, and use pressure coupling, first
put the molecule at the origin.

Hope it helps,


On Apr 12, 2011 7:28 AM, "Mark Abraham" <Mark.Abraham at anu.edu.au> wrote:

> yes , position restraints of molecules that only allow to orient.
What's your question? Most tutorials will use position restraints at some
stage. There's theory discussion in the manual.


> > regards. > > --- On Mon, 4/11/11, Mark Abraham <Mark.Abraham at anu.edu.au>
wrote: >> >> >> From:...

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