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
Sunil
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