[gmx-users] XTC error
David van der Spoel
spoel at xray.bmc.uu.se
Thu May 23 20:42:40 CEST 2002
On Thu, 23 May 2002, Vincent Lemaitre wrote:
>Dear all,
>
>While starting a MD, using mdrun (-np 1, single precision, Gromacs 3.1.3), I
>get this error:
>
>"
>starting mdrun 'Protein'
>10000 steps, 20.0 ps.
>
>Fatal error: XTC error
Not many details in your report. It could be something physical, very
large numbers, e.g. due to bad minimization
--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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