[gmx-users] (no subject)

Sunil Thapa mephysik at yahoo.com
Sun Feb 8 10:54:45 CET 2009

Respectable Mark/Berk/David
I am trying to study diffusion of oxygen in water at a constant pressure of 1 bar. When I run the production run of 1 ns then I get an warning message as follows and the run terminates. Please try to figure out what might have been wrong.
Grid: 35 x 35 x 35 cells
WARNING: your box is exploding! (ncells = 42875)
           Step           Time         Lambda
          17200       34.40000        0.00000
   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         1.000000      1      2   1.000000
        After LINCS         1.000000      1      2   1.000000
Fatal error: Can not read/write topologies to file type unknown
Your help is a boon


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