AMBER Archive (2004)

Subject: Re: AMBER: ANAL: how can i buld the anal.in file?

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 07 2004 - 10:21:53 CDT

On Wed, Apr 07, 2004, riccardodesantis_at_fastwebnet.it wrote:

> I'm a new user of AMBER7 package; I'm interested in COMBINE, and I'm trying
> to use ANAL to decompose the energies of a complex drug - protein , but
> unfortunately I don't know how to prepare the anal-in file.
> Is there someone who can help me? Is there someone who can send me an example
> of an anal-in file for the same purpose?

There is a sample analin file in $AMBERHOME/test/vac_rna. Maybe this will
get you started. The mm-pbsa program also has some decompostion options that
may be useful.

...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
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu