Hi Tomasz, Tomasz Makarewicz wrote, On 08/01/13 09:36: > Thanks for the report. Could you send me file > "~/.dynamics/NameOfMolecule/log.txt". It contains every GROMACS output, so > we will be able to analyse, what exactly GROMACS is missing.
The relevant error seems to be: ERROR 1 [file foo.top, line 710]: ERROR: The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element. Increase the box size or decrease rlist. Full log: http://pymol.org/tmp/dynamics-log.txt Cheers, Thomas -- Thomas Holder PyMOL Developer Schrödinger Contractor ------------------------------------------------------------------------------ Get your SQL database under version control now! Version control is standard for application code, but databases havent caught up. So what steps can you take to put your SQL databases under version control? Why should you start doing it? Read more to find out. http://pubads.g.doubleclick.net/gampad/clk?id=49501711&iu=/4140/ostg.clktrk _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
