AMBER Archive (2007)

Subject: Re: AMBER: LES

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu May 31 2007 - 08:17:02 CDT

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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