[gmx-users] Constraint Pulling - Oscillating Forces

[VENKATESH HARIHARAN]

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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