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