Re: [AMBER] MPI version of MMPBSA

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 8 Sep 2011 11:36:49 -0400

2011/9/8 Siavoush Dastmalchi <Dastmalchi.s.tbzmed.ac.ir>

> Hi,
>
> Just to let you know that the problem is solved.
>

That's great. For the sake of everybody else that may come looking through
these archives for hints, would you mind sharing how you fixed it?

Thanks!
Jason


>
> Thanks,
> Siavoush
>
> ________________________________
>
> From: Siavoush Dastmalchi [mailto:Dastmalchi.s.tbzmed.ac.ir]
> Sent: Thu 2011/09/08 12:05 È.Ù
> To: AMBER Mailing List
> Subject: [AMBER] MPI version of MMPBSA
>
>
>
> Dear List,
>
> We have recently installed amber 11 and ambertools1.5 on our Linux cluster.
> According to the posts in the archive there should be MMPBSA, MMPBSA.MPI,
> MMPBSA.py and MMPBSA.py.MPI, in $AMBERHOME/bin/ however, there are just
> MMPBSA.py and MMPBSA in that directory. It looks like that the mpi version
> of the mmpbsa program hasn't been installed. Do I need to install everything
> from the scratch or I can just reinstall the MPI version of MMPBSA? If this
> is the case, I will appreciate it if I can get an instruction on this.
>
> Cheers, Siavoush
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 08 2011 - 09:00:02 PDT
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