[gmx-users] error (full of nan)

David spoel at xray.bmc.uu.se
Sat Feb 28 09:24:00 CET 2004

On Fri, 2004-02-27 at 23:04, Herbert Georg wrote:
> Any suggestion of how I could overcome this problem? I tried not to 
> generate initial velocities and put the temperature of reference at 10K, 
> but the same problem occured!
Is that the flexwat-ferguson test?

Just get better starting coordinates
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
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

More information about the gromacs.org_gmx-users mailing list