On Fri, Dec 19, 2003, astrid.maass wrote:
>
> currently I am preparing small molecules for docking purposes with
> antechamber and subsequent energy minimization applying sander. The
> documentations "Development of a general AMBER force field" of J. Wang
> et al. and "Antechamber, an accessory software package for molecular
> mechanical calculations" describe basic and special gaff atom types.
> However, my current gaff.dat includes only the basic atom types. Will
> the special atom types become available in the next time?
Yes, the "special" atom types will be a part of the next release, in March,
2004.
...regards...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 Wed Jan 14 2004 - 15:53:11 PST