Re: [AMBER] sander mpi error when unfolding the protein

From: Chinh Su Tran To <chinh.sutranto.gmail.com>
Date: Thu, 29 Sep 2011 18:00:46 +0800

Dear Dr. Steinbrecher,

The heat4.rst was not generated because of some reason which I haven't found
out. I am sure that the heat3 process ran smoothly, so it should not have
problem with the heat4 running (in term of directory access).

Any problem about the solvated molecule or in other word the water box is
considered here?

Thank you for any suggestion.

regards,
Chinsu

On Thu, Sep 29, 2011 at 5:23 PM, <steinbrt.rci.rutgers.edu> wrote:

> Hi,
>
> >> > Unit 30 Error on OPEN:
> >> > ./ndm_heat4.rst
>
> Well, sander says it could not open this file, so you need to find out why
> (does it exist, in the right directory, readable, etc...)
>
> Thomas
>
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Received on Thu Sep 29 2011 - 03:30:03 PDT
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