Subject: GROMACS and Energy Minimization

From: "Sergio Manzetti" <[email-masked]>
Date: Tue, 28 Aug 2001 00:03:37 -0700

Hi all. I am trying to minimize a complex of two chains using the GROMACS
package, following the Getting Started Guide. Unfurtunately, the specific
molecular dynamics parameter file (*mdp) for energy minization is not
available from the net. Does anyone have a spare copy of such a parameter
file for the specific energy minimization process? In case I got something
wrong here, all hints and tricks are warmly welcome.

Thank you

Sergio Manzetti

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___________________________

Sergio Manzetti
Research Scholar
Centre of Molecular Biotechnology/ Supercomputer Facility
Queensland University of Technology
2 George St.
BRISBANE
4000 QLD
AUSTRALIA
email: [email-masked]
Tlf: +61 7 3864 1434
www:  http://www.life.sci.qut.edu.au/html/research/cmgenetics.html
www2: http://www.its.qut.edu.au/hpc/