On Mon, May 6, 2013 at 3:09 PM, Kshatresh Dutta Dubey
<kshatresh.gmail.com>wrote:
> Dear Jason,
>
> Thanks for your response. I used following input. I have commented for pb
> section just to test.
> Sample input file for GB and PB calculation
> &general
> startframe=310, endframe=410, interval=5,
> verbose=2, keep_files=0,
> entropy=1,
> /
> &gb
> igb=5, saltcon=0.150,
> /
> #&pb
> istrng=0.15, fillratio=4.0
>
> Most interesting fact is that same topology and mdcrd files are running
> well for GB section on my laptop, having same OS, but giving PB bomb for
> pb_aaradi.....for PB calculations.
>
This has been discussed several times on the list before. Try setting
inp=1 and radiopt=0 in the &pb section.
Good luck,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon May 06 2013 - 13:00:03 PDT
