Hi,
The oscillations are normal.
Berk.
Date: Thu, 17 Jul 2008 11:59:12 -0400
To: gmx-users@gromacs.org
From: [EMAIL PROTECTED]
Subject: [gmx-users] Constraint Pulling - Oscillating Forces
Hello,
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?
Thanks.
______________________________
Venkatesh
Hariharan
Pennsylvania State University
Schreyer Honors
College
Undergraduate - Bioengineering
"You must be the change you
wish to see in the world."
--Mohandas Karamchand Gandhi
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