Subject: global energy minimum structures of small molecules

From: Frank Herrmann <[email-masked]>
Date: Wed, 19 Feb 1997 15:18:17 +0100

Dear Netters,

I look for GLOBAL ENERGY MINIMUM structures of small molecules. I want
to build them from coordinates or dihedral angles. By small I mean
about the size of met-enkephaline (5 residues) or bigger. I am not
interested in experimental structures (xray,nmr) but in structures
generated by ENERGY MINIMIZATION (any method) of empirical,
semiempirical or higher level force fields.

I am especially interested in vacuum calculations (no solvent or
special dielectricity constant) preferably using the AMBER force
field. I am most interested in peptides but also in other kinds of
small molecules.

Thanx for your time,

-- 
---------------------------------------------------------------------
           Frank Herrmann, Computer Scientist, PhD Student            
   Institute of Parallel and Distributed High-Performance Systems    
                   (IPVR) University of Stuttgart                     
                      Breitwiesenstrasse 20-22                        
                    D-70565 Stuttgart  (Germany)                      
           Tel: (49) 711-7816-358, FAX: (49) 711-7816-250            
          email: [email-masked]         
http://www.informatik.uni-stuttgart.de/ipvr/bv/personen/herrmann.html