Re: Amber Perl module

From: Luis Gracia <>
Date: Thu 14 Nov 2002 16:55:25 -0500

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


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
Received on Thu Nov 14 2002 - 13:55:25 PST
Custom Search