Re: amber-developers: Junmei weighs in on torsions

From: Thomas E. Cheatham, III <>
Date: Thu, 30 Jun 2005 13:40:15 -0700

> I've attached an updated "parm99.dat.new2", which puts in explicitly a
> zero-force-constant three-fold term along with the one-fold term, to
> (I hope!) the "copy" problem from getting confused. We should test this
> see what it produces under various circumstances.

FYI, I just tested this (parm99.dat.new2) with Ross's simple nuc.pdb
system that I reported results on yesterday and now we get consistent
results before and after the copy that match the original PLEP/ LEaP
pre-copy results exactly.

Received on Wed Apr 05 2006 - 23:49:54 PDT
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