[gmx-users] Constraint Pulling - Oscillating Forces
gmx3 at hotmail.com
Mon Jul 21 13:42:14 CEST 2008
The oscillations are normal.
Date: Thu, 17 Jul 2008 11:59:12 -0400
To: gmx-users at gromacs.org
From: vuh105 at psu.edu
Subject: [gmx-users] Constraint Pulling - Oscillating Forces
I am running constraint pulling on a
peptide chain. After the run, the pull.pdo file outputs the time, along
with the force (in kJ/(mol nm)). The problem is that the forces are
oscillating between almost 1000 pN. I tried to reduce the constraint
tolerance, but it does not help that much. Any suggestions on reducing hte
oscillations of force?
Pennsylvania State University
Undergraduate - Bioengineering
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