[gmx-users] Constraint Pulling - Oscillating Forces
vuh105 at psu.edu
Thu Jul 17 17:59:12 CEST 2008
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.
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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