You could always try using the python MMPBSA script to calculate entropy in
parallel. The MMPBSA.MPI executable in $AMBERHOME/bin is designed to run the
parallel python MMPBSA script, which can be used for normal mode analysis.
-Bill
On Wed, Jul 27, 2011 at 6:20 AM, Azat Mukhametov <azatccb.gmail.com> wrote:
> Hi All,
> Does anybody have a script to distribute mm_pbsa.pl tasks on many CPUs
> (actually I have 12 cores)?
> Or modified mm_pbsa.pl capable to work with many cores?
> (Actually PARALLEL parameter doesn't work for ENTROPY calculations)
>
> Thanks!
> --
> Best regards,
> Azat Mukhametov, PhD
>
> Centre for Chemical Biology at Universiti Sains Malaysia (CCB.USM)
> 1st Floor, Block B,
> No.10, Persiaran Bukit Jambul,
> 11900 Bayan Lepas,
> Penang, Malaysia.
> http://www.ccbusm.com
> Tel : +604-6535500/5573
> Fax : +604-6535514
> email: azatccb.gmail.com
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Wed Jul 27 2011 - 03:30:04 PDT
