Sunil Thapa wrote:
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)
There's the main problem. See http://wiki.gromacs.org/index.php/blowing_up
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
The line below is some other issue.
Fatal error: Can not read/write topologies to file type unknown
Mark
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