[gmx-users] fatal error

özge kül ozgekul8233 at yahoo.com
Fri Apr 27 12:51:33 CEST 2007


Hi Amanda ,
   
  I got the same error with you.I have tried to calculate a protein structure which has two chains.This chains are bound with eachother with disulphide bonds.I used -merge -ignh -ss in pdb2gmx.Have you solved your problem .This the error message:
   
  Error on node 4, will try to stop all the nodes
Halting parallel program mdrun_mpi on CPU 4 out of 8
-------------------------------------------------------
Program mdrun, VERSION 3.3
Source code file: nsgrid.c, line: 220
Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

   
  If you got some decision about this problem,please help me.I looked up all the message in the list,but Icouldn't find.
   
  Thank U

       
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