Ok, here's what i've got: Gromacs version 4.0.5. Both platforms are Linux, icc 10, fftw 3 compile option: ./configure --enable-mpi
thanks for your help! Gard 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 >
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