Hi all,
I am trying to run a PB calculation without the Stern layer, thus
setting this to zero.
I had MMPBSA.py print out mdin files for me which I then edited to set
iprob = 0.00
When I run this calculation I get an error:
PB Bomb in pb_read(): solvent probe cannot be smaller than ion prob
But, I don't understand this error. The solvent probe (dprobe) is set to
the default 1.4 and thus should be larger than 0.
dprob = 1.400000
Any thoughts on this would be appreciated.
Best regards,
Jesper
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Received on Wed Oct 12 2011 - 13:00:02 PDT
