On Mon, Apr 07, 2008, Chih-Ying Lin wrote:
>
> Why are the value parameters in the prmtop file only half of the value of
> parameters in the frcmod file after I make a new prmtop file with a new
> frcmod file?
Example, please.
(In general, your posts are very hard to answer because there is often way to
little information given. Providing an input file and a precise description
of what you did is much more helpful than just saying "I did a minimization
and the answer was not what I expected.")
...dac
p.s. my WAG is that you may(?) be talking about torsion potentials that
have a "division factor" of two.
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Received on Fri Apr 18 2008 - 21:17:47 PDT
