Re: [AMBER] MMPBSA.py.MPI hangs

From: George Tzotzos <gtzotzos.me.com>
Date: Thu, 27 Feb 2014 14:49:51 -0300

Hi Jason,

The files you requested to reproduce the problem are attached.

George






On Feb 27, 2014, at 2:27 PM, Jason Swails <jason.swails.gmail.com> wrote:

> On Thu, 2014-02-27 at 14:16 -0300, George Tzotzos wrote:
>> Hi Jason,
>>
>> The problem persists despite applying patch 5 to AmberTools13 (see below).
>>
>> I wonder if there is a workaround to the problem. Would an older version of AmberTools work?
>
> It might.
>
> Can you send me the files I need to reproduce this error, though? A
> trajectory with 1 or 2 frames would work.
>
> Thanks,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Thu Feb 27 2014 - 10:00:05 PST
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