Gard Nelson wrote:
Hey everyone,
I wrote a few days ago about a segmentation fault I'm getting from
grompp when I try to set up a membrane protein system. Grompp opens the
ff_dum.itp file and then the core dumps immediately. This happens on
two different machines, both of which are running gromacs 4.0.5.
I just downloaded lipid.itp, popc128a.pdb and popc.itp fresh from
Tieleman's website, made a topology file and tried running grompp on
it. I still get the same segmentation fault. However, when I run the
same files through grompp from gromacs 3.3, it works fine. Has anyone
else seen this problem, or is it just me? What can I do to find and fix
the problem?
Can you post the topology you made? What about ff_dum.itp? I believe Mark
asked about its integrity some time ago. I've certainly processed a number of
membrane and membrane-protein systems under Gromacs 4.0.x, so I don't think
there's anything inherently wrong with grompp.
-Justin
Thanks
Gard Nelson
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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