[gmx-users] nmrun

David spoel at xray.bmc.uu.se
Sat Jun 21 08:03:01 CEST 2003


On Sat, 2003-06-21 at 05:37, Mark Fleharty wrote:
> Hello,
> 
> I recently downloaded and installed gromacs-3.1.4-1.i386.rpm, and
> fftw-2.1.3-1.i386.rpm.
> 
> I have been unable to find the nmrun program that is found in the gromacs
> documentation.  I can run the gmxdemo tutor fine.  In addition, g_nmeig,
> g_anaeig, and g_nmens all appear to work fine, I just can't find nmrun.
> 
it is now part of mdrun. You just change algorithm = nm in the mdp file

> Any ideas?
> 
> Thanks,
> 
> Mark Fleharty
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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