[gmx-users] segmentation fault with grompp
Justin A. Lemkul
jalemkul at vt.edu
Fri Feb 5 23:33:54 CET 2010
Gard Nelson wrote:
> Hi all,
> I'm trying to simulate a solvated membrane using Berger's lipids. When
> I run grompp, i get the following error:
>
> checking input for internal consistency...
> processing topology...
> Opening library file ...lipid.itp
> Opening library file ...nb_lipid.itp
> Opening library file ...bon_lipid.itp
> Opening library file ...ff_dum.itp
> Segmentation fault (core dumped)
>
> I've tried this on two different machines with two different ff_dum.itp
> files with the same results. Moreover, I've never touched the ff_dum.itp
> file. I have modified the other forcefield files, both to include
> Berger's lipids as well as other non-standard residues. It runs fine
> with solvated proteins, but this is the first time I've run a system
> with the membrane, so i'm guessing the error is coming from there. I've
> looked through my files and cant find any errors. Does anyone have any
> ideas of what might be causing this?
>
Lots of things. But to get better help, you'll have to provide some more
information:
1. Gromacs version
2. Platform
3. How Gromacs was compiled (commands, compilers used, etc)
-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
========================================
More information about the gromacs.org_gmx-users
mailing list