dear prof. case
I carried out the same case that was close to my example without any problem.
I carried out a minimization of the energy before eqilibration, but this error happen
at the very beginning of a run. I don't know what should be chang.
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
----- Forwarded Message -----
From: David A Case <case.biomaps.rutgers.edu>
To: Zahra Khatti <khatti_za.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Monday, 17 February 2014, 2:16:47
Subject: Re: [AMBER] error with md simulation
On Sun, Feb 16, 2014, Zahra Khatti wrote:
>
> I get an error when I run md simulation with sander,
>
> Segmentation fault (core dumped)
This is a generic error, and provides no information. We can't help without
knowing a lot more about your system, your compiler and OS, etc. Try to
construct a small example that illustrates the problem. Please indicate if
this happens at the very beginning of a run, or in the middle; have you
carried out a minimization of the energy?
Also, try to find a test case that is close to the example you are using.
Then see if you can find the difference betweent the test case (which works,
I am assuming) and your input files.
....dac
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Received on Mon Feb 17 2014 - 09:30:03 PST
