[gmx-users] Constraint Pulling - Oscillating Forces

[Berk Hess]

Hi,

The oscillations are normal.

Berk.

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

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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