[gmx-users] Fwd: Segmentation fault while running gromacs 4.0.4

[Ms. Aswathy S]

Dept. Biotechnology
Ext. 3108

----- Forwarded Message -----
From: "Ms. Aswathy S" <aswathys at amritapuri.amrita.edu>
To: gmx-users at gromacs.org
Sent: Tuesday, June 2, 2009 11:54:56 AM GMT +05:30 Chennai, Kolkata, Mumbai, New Delhi
Subject: Segmentation fault while running gromacs 4.0.4

Hi,

I am working in GROMACS 4.0.4 and trying to do a receptor -ligand simulation.

But when I run the grommp for equilibration of about 30 ps, it shows Segmentaion Fault. I din't get any idea that what type of error it causing from the log file. When i run the free command it has a free space of 33 MB. Is that could be the reason?. But I already read that gromacs doesnot consume that much memory(10-20Mb). If so tell me what could be the possibilities. attaching the mdp file and log file
I will explain all the steps i have did,

1. The protein and ligand i minimized in vaccum.
2. Then added water and again minimized the whole system (During both 1 & 2 minimization, "Steepest Descents converged to machine precision "in early steps )
3. I used the otput file from the above result for equilibration steps(is that the reason??!!!)

then i faced the segmentatuion fault. Please help me....

thanks in advance....

Dept. Biotechnology
Ext. 3108
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