AMBER Archive (2008)

Subject: Re: AMBER: Identification of improper torsions in small molecules parameterized with GAFF by antechamber

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Oct 28 2008 - 17:15:11 CDT

On Tue, Oct 28, 2008, John Chodera wrote:
>
> With some luck, we'll be able to put together a tool capable of
> transforming Amber crd/prmtop files to and from the Maestro format
> Desmond uses. This could be useful to Amber users interested in
> having more options in setting up or running their simulations.

Sounds great. The Levy group at Rutgers has been pushing me to learn Maestro,
and this might help as well. I'm a pretty old dog by now, but really ought to
be seeing what Desmond can do....

...dac

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