On Mon, Jul 07, 2003, Sia Meshkat wrote:
>
> Actually, I am trying to run without polarization with parm99.dat, but
> the only charge data I can find for amino acids is in "all_amino02.in".
>
> Where can I get "all_amino99.in", etc.?
There is no such beast. Charge distributions for non-polarizable force
fields are the same as in ff94.
Please see the files in $AMBERHOME/dat/leap/cmd, or pp. 17-19 of the
Users' Manual.
...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Mon Jul 07 2003 - 23:53:01 PDT