[gmx-users] XTC error

[David van der Spoel]

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.
> Thanks.
> 
> 
>       
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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