[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
>
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--
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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