[gmx-users] comparison

David van der Spoel spoel at xray.bmc.uu.se
Fri Feb 27 08:58:00 CET 2004


On Thu, 2004-02-26 at 23:33, Mungikar, Amol Arvind (UMR-Student) wrote:
> Dear gromacs users,
> This may sound a little stupid, but I was wondering if anybody has the s-peptide (tutorial) simulation results in vacuum and in water (particularly energy values!) so that I can compare them with what I got .... just to make sure that everything with my installation of GROMACS is fine! I am using a Redhat linux i686 machine, and I just wanted to make sure that gromacs works fine on this platform. All the solvent simulation results are perfect.
> Thanks!!

you may be better off downloading the gromacs tests, which so far are
only available through cvs.

cvs checkout gmxtests

see further the web site voor "developer info"
> Amol
>  
> 
> 
> 왨x%`
> 虧,iஉrj)fjb?lǫ^jǝ?-rz--bԱa{0{^zzwb -
> 虧,
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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