AMBER Archive (2007)

Subject: Re: AMBER: LES

From: Urszula Uciechowska (urszula.uciechowska_at_pharmazie.uni-halle.de)
Date: Thu May 31 2007 - 08:29:27 CDT

Yes LES test works properly,

> did the LES test case work properly?
>
> On 5/31/07, Urszula Uciechowska <urszula.uciechowska_at_pharmazie.uni-
> halle.de>wrote:
> >
> > Dear Amber users,
> >
> > I am trying to run sander.LES simulations, I did the non-Les
> simulations> and now I would like
> > to carry out the Les (using sander.Les). I created LES.prmtop and
> > LES.incrd
> > My problem is that after running sander.LES I am getting empty
> out file
> > and nothing more so I
> > dont even know what is wrong. Maybe someone had similar problem?
> >
> > Thanks for any advices
> >
> > Urszula Uciechowska
> >
> >
> > MSc.PhD Student
> > Medicinal Chemistry Group
> > University of Halle-Wittenberg
> >
> >
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