AMBER Archive (2003)

Subject: Re: AMBER: special gaff atom types available?

From: David A. Case (case_at_scripps.edu)
Date: Sat Dec 20 2003 - 10:25:14 CST

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 

-- 

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David A. Case                     |  e-mail:      case_at_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:                   
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