[gmx-users] mdrun

Outi Maija Salo osalo at messi.uku.fi
Fri Jan 10 11:36:25 CET 2003


What could be the problem with my mdrun if it collapses after the
beginning and informs like this:

Warning: Only triclinic boxes with the first vector parallel to the x-axis
and t
he second vector in the xy-plane are supported.
         Box (3x3):
            Box[    0]={         nan,          nan,          nan}
            Box[    1]={         nan,          nan,          nan}
            Box[    2]={         nan,          nan,          nan}
         Can not fix pbc.

And in the end of log file:

Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210]


Outi Salo

  Outi Salo
  Department of Pharmaceutical Chemistry
  University of Kuopio
  P.O. Box 1627
  FIN-70211 Kuopio

  Phone: +358-(0)17-162462
  Fax: +358-(0)17-162456
  E-mail: outi.salo at uku.fi

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