[gmx-users] table command

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 27 23:48:21 CET 2008


He, Yang wrote:
> Hi all users,
> 
> I just use the command  mdrun -table table_nonbond.xvg  to run the table file but it always shows that
> 
> Fatal error:
> Tables in file table_nonbond.xvg not long enough for cut-off:
>         should be at least 1.900000 nm
> Actually, I have listed all the values up to 2.000nm in the file so I get a little confused about this error;
> 
> Can anyone of you give me some suggestions?

Compare your file with the ones in the distribution in 
share/gromacs/top/*xvg, or with those generated with mdrun -debug 
without attempting to use your own table.

Mark



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