Re: amber-developers: improper dihedrals

From: David A. Case <>
Date: Tue, 24 Feb 2004 16:55:02 -0700

On Tue, Feb 24, 2004, Guanglei Cui wrote:

> I looked at gaff.dat/improper dihedral section and found this
> general term,
> X -X -X -X 1.1 180. 2. dac, 10/94
> why didn't leap use this for the found improper dihedrals?

Don't know; but let me add a suggestion (maybe you have already done
don't believe what I say, but look at the prmtop file you get to see what
impropers are really there. rdparm will print the torsions in a nice
so you can see what you are "really" getting.

Received on Wed Apr 05 2006 - 23:50:05 PDT
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