AMBER Archive (2001)

Subject: Re: LINMIN Failure

From: Michael Jakusch (mjakusch_at_pharma.anbi.ethz.ch)
Date: Mon Oct 01 2001 - 10:17:17 CDT

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://www.amber.ucsf.edu/amber/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