[gmx-users] program crashes when -table option used
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jul 14 09:59:03 CEST 2006
Dongsheng Zhang wrote:
> Yang Ye,
> I just can't understand why the program ran fine in one way, but crashed
> in another way. If the two coordinates file are the same, how come did
> the second run give me large value of LJ_14? If it is possible, I can
> give you my two tpr file, you can do the test.
please submit a bugzilla, with the appropriate files (two tpr files and
the table file).
> I used a coarse grained model, dt = 0.002. I don't think it is too large
> for a monomer.
> By the way, it seems David has not told us how to input multiple
> tablep.xvg files, right?
you can have one table.xvg and one tablep.xvg
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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