[gmx-users] XTC error
David van der Spoel
spoel at xray.bmc.uu.se
Mon Aug 18 07:35:53 CEST 2008
hhhh huan wrote:
> Dear gmx developers and users.
> I was trying to extend my simulation using tpbconv, and then mdrun. Unfortunately, my simulation crash in the half way. it stated there" XTC error".
> The command i used was:
> tpbconv -s p1.tpr -f p1.trr -e p1.edr -n p1.ndx -extend 5000 -until 10000 -o extend.tpr
> Is there any wrong with it?
> After that, i try to redo again but it comes out with different error. It stated:
> Fatal error:
> wrong string length 0 for string buf (source tpxio.c, line 1150)
It could be due to 32 bit files system. Is your xtc file larger than
(or exactly) 2 Gb?
It could also be due to the size of your simulation system, xtc is not
suitable for vacuum simulation.
> Any suggestions will be appreciated.
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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