[gmx-users] g_rmsdist error hi (-1000.000000) <= lo (0.000000)

David van der Spoel spoel at xray.bmc.uu.se
Fri Apr 29 16:51:24 CEST 2011


On 2011-04-29 16.32, Andrea Carotti wrote:
> Hi all,
> I'm trying to use this tool with the following command (selecting the
> backbone atoms: 366 atoms in total)
> g_rmsdist -s 1.pdb -f traj_fit.trr -rms
>
> But the programs stop with the following error:
> Program g_rmsdist, VERSION 4.5.4
> Source code file: matio.c, line: 953
>
> Fatal error:
> hi (-1000.000000) <= lo (0.000000)
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
> Could you please help me?
> Thanks
> Andrea
>
>
>
all your rmsd have the same value. probably broken pdb or trr.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se



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