how to validate ff parameters obtained from antechamber

From: Jiyoung Heo <jyheo.wag.caltech.edu>
Date: Thu, 27 Feb 2003 21:27:54 -0800

Dear amber users,

I generated the force field parameters for non-natural DNA bases using
antechamber. They have just some modification, so the common FF
parameters were taken from natural DNA base parameters and non-available
ones in parm98.dat were from the antechamber output.
I am wondering how you validate the force field parameters obtained by
antechamber.
Do you usually calculate base pairing energy and compare the QM result?
What is the best and reliable way?

-Jiyoung
Received on Fri Feb 28 2003 - 05:53:00 PST
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