On 24/04/2010 7:28 AM, Arik Cohen wrote:
I'll be most thankful if any one would be able to help me with the
following problem.
Giving more complete information will give you a much better chance.
It's not our job to be the family doctor and ask questions :-)
What GROMACS version is it? Does upgrading to 4.0.7 help?
While running the grompp (in both single and double precision) command I
get a Segmentation fault (core dumped) error.
When? What was the output to date?
The error persist even
after recompiling the GROMACS with gcc-4.4.3(previously I was running
4.04 compiled with the buggy gcc-4.1 compiler).
Does it happen on another machine?
The command I'm using is:
grompp_d -f MDP/em.mdp -c 1bgq_Complex_b4ion.pdb -p 1bgq_Complex.top -o
1bgq.tpr
What's in the .mdp file?
Mark
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