AMBER Archive (2007)

Subject: Re: AMBER: Problem with leaprc

From: David A. Case (case_at_scripps.edu)
Date: Mon Jul 02 2007 - 09:44:59 CDT

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.

...dac

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