On Sun, Mar 09, 2003, Yuguang Mu wrote:
>
> When I check how the EWald works in AMBER 6 I just run a trival system,
> a water molecule in a big box, 20*20*20
> using cutof 9 with sander, just a minimization.
>
> I found the energy ouput , surprised to me that there is even a vwd term.
It doesn't sound like this should be happening; we would need more details
(e.g. actual input files) to figure out what is going on. What is your
value of vdwmeth? If this is turned on, you would get a vdW term, although
it would not be accurate, since it assumes a continuous density.
...dac
--
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David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
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Received on Sun Mar 09 2003 - 22:53:01 PST
