[gmx-users] why the trajectory file is not output

He, Yang yang.he at mavs.uta.edu
Fri Jan 23 22:28:16 CET 2009

Hi Mark,

I just choose a small number of steps but it also does not work.it always shows that

starting mdrun 'MODEL CYLINDER'
10000 steps,    300.0 ps.

Segmentation fault (core dumped)

I am not very sure about that.

Thank you .

From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of Mark Abraham [Mark.Abraham at anu.edu.au]
Sent: Friday, January 23, 2009 12:53 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] why the trajectory file is not output

He, Yang wrote:
> I just tried it several times and still can not get the trajectory file. I am using the 3.3.1 not new version but I can get the xtc or trr file when running the other cases .

It seems unlikely you were able to run a million-step integration
several times to completion. Choose a small number of steps, allow mdrun
to run to completion, and *then* see if your problem is real.

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