On Mon, Oct 01, 2001 at 04:58:12PM +0200, Lepsa wrote:
> I'm running a minimization of an organic molecule in an explicit solvent as a preparation for an MD run. But it keeps reporting a LINMIN failure. What does it mean? How to avoid it?
Hi Martin,
Try having a look at
http://amber.ch.ic.ac.uk/Questions/linmin.html
HTH
Michael
--
Dr. Michael Jakusch
ETH - Swiss Federal Institute of Technology
Departement of Applied Biosciences
Winterthurerstrasse 190
CH-8057 Zürich
Switzerland
Phone: +41.1.635 60 71
Fax: +41.1.635 68 84
email: michael.jakusch_at_pharma.anbi.ethz.ch
Received on Mon Oct 01 2001 - 08:17:17 PDT
