AMBER Archive (2002)

Subject: Re: Amber 7 MM-PBSA for Amber 6 trajectories

From: David A. Case (case_at_scripps.edu)
Date: Sat Dec 14 2002 - 13:26:01 CST


On Thu, Dec 12, 2002, Qing Zhang wrote:
>
> I produced Amber 6 trajectories for my system, but I
> want to use Amber 7's MM-PBSA scripts to calculate the
> free energies. Is that compatible? Will the free
> energies be different?

The format of trajectory files has not changed between versions 6 and 7, so
I don't believe you should have any problems.

..good luck...dac

-- 

================================================================== 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: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================