AMBER Archive (2002)

Subject: Re: Amber Perl module

From: Luis Gracia (luis.gracia_at_mssm.edu)
Date: Thu Nov 14 2002 - 15:55:25 CST

Tod Pascal wrote:
> Hello all,
> Is there a Perl module for AMBER available or is there any way to
> execute LeaP command from within Perl?
>
> Thank you,
> Tod Pascal

Hi!

During the last months I have been involved in developing a simulating
annealing scheme using amber as the md program and all is driven by a
perl interface. We have some subroutines that send LEaP and sander jobs.
Unfortunatly I cannot send the whole program for several reasons, but I
can on a discrete manner send the subroutines for executing LEaP with
several options. However, they are not perl modules. Tell me in case you
would like them.

Best, Luis 

-- 
Luis Gracia, PhD
Dept. Physiology & Biophysics, 21-280
Mt Sinai School of Medicine
One Gustave L. Levy Place, New York NY 10029
Tel: (212) 241-0858   ---   Fax: (212) 860-3369
e.mail: luis.gracia_at_mssm.edu