[gmx-users] Remove COM of group only in x & y direction

Berk Hess gmx3 at hotmail.com
Wed Mar 19 09:37:33 CET 2008


Not in version 3.3.
In version 4.0 only x & y will be selected automatically when there are walls along z-planes.


> From: dtmirij at sandia.gov
> To: gmx-users at gromacs.org
> Date: Tue, 18 Mar 2008 22:14:20 -0600
> Subject: [gmx-users] Remove COM of group only in x & y direction
> Hello,
> I need to be able to remove the COM motion of a defined group only in
> x-direction and y-direction but not the z-direction.  Is there a way to do
> this in GROMACS?  The comm_mode options removes ALL components of the COM
> motion of the defined group.
> Thank you.
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