[gmx-users] about MDRUN-PR

[Anton Feenstra]

parinald at unsl.edu.ar wrote:
> Hello again gromac'ers:
>                        I don't finish yet the demo for the simple sistem.
> Now I run
> mdrun -nice 4 -s ${MOL}_pr -o ${MOL}_pr -c ${MOL}_b4md -v
> 
> step 140, will finish at Fri. Oct. 3 12:05:47 2003Fatal error 
> ci = -2147483648 should be in 0... 14078 [FILE nsgrid.c, LINE 210].
> 
> what a hell is that?. Thank you very very very much!

Go back through the previous steps, like pdb2gmx, grompp and 'mdrun-EM'
to check for any messages or warnings. Otherwise, since you're running
the demo, there must be something wrong with your compilation.
If you're getting back to the list afterwards, it would help to give
a summary of which steps *did* work...


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
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