[gmx-users] Magic number error
chris.neale at utoronto.ca
Sat Jul 14 20:39:22 CEST 2007
>My xtc file is smaller than 1 GB.
>When I use it as input in programs such as g_order,
>g_potential, etc it has been getting the same problem.
>The computer that I've been using is a workstation
>with 2 Dual-Core processors.
Sounds like unrecoverable data loss. Can you reproduce the problem with a new mdrun? If so, please post more data including the
entire output from the program (e.g. g_potential) that gives problems (but let's stick to gmxcheck for now). Also the log file from the
mdrun would be good. Also the exact commands (copy and paste please instead or re-write) that you used for the mdrun and for the
Since you're going to be re-running mdrun anyway, keep the nstlog to a large number so that log file doesn't become huge.
Other things to question: are you running analysis on the same computer that you ran mdrun on? same compilation? same precision?
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