[gmx-users] COM restraint similar to distance restraints
meetnahren at yahoo.com
Thu Apr 4 14:10:49 CEST 2013
Sorry to bother you all once again. As there were no replies, I assume it is not possible to implement COM distance restraints in a way similar to distance restrains.
From: nahren manuel <meetnahren at yahoo.com>
To: gromacs gromacs <gmx-users at gromacs.org>
Sent: Monday, April 1, 2013 9:56 PM
Subject: [gmx-users] COM restraint similar to distance restraints
Dear Gromacs Users,
I was wondering if there is a way to implement the COM distance restraints (which I presently apply using pull, and setting pull-rate =0.0) in way similar to distance restraints defining the lower up1 up2 (i.e harmonic restraint with a flat well). Any suggestion will be appreciated.
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