Re: AMBER: Problem with leaprc

From: David A. Case <>
Date: Mon, 2 Jul 2007 07:44:59 -0700

On Sun, Jul 01, 2007, yen li wrote:

> (2) I do "desc ff03"

I've never done this, so I'm not sure what to expect. To really know what is
being computed, set up a small molecule, and "dihed" command in rdparm to
print out the dihedrals from the prmtop file. That is what sander and pmemd
really see.


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Received on Wed Jul 04 2007 - 06:07:18 PDT
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