force calculation during to conformational change

From: Gaurav Sharma (
Date: Tue Jul 11 2006 - 11:38:15 CDT

Hi All,

I have a peptide system consisting of two parallel alpha-helical chains.
The chains move away from each other during MD run due to repulsive
forces from ionized histidines on both chains. I would like to calculate
the force by which the chains move apart. Any idea how I can do this
using NAMD?

Thanks for your help.

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