Hi, all, I have four trajectories which I want to analyze Surface on. So I run
for i in 1 2 3 4; do echo -e " non-Water \n Protein " | g_sas -f $i.xtc -s $i.tpr -o $i.area.xvg -n index.ndx -q $i.pdb ; done But the strange thing is, g_sas analyzed the first three trajectories, but gave a "segmentation fault for the last one. The only difference for these trjs is the number of water molecules, hence the box size(I used NPT.) . Then I doubt maybe the atom name I used can't be put in pdb file (some of them are 5 letters long, and I used gro file since the very beginning ). I deleted the -q flag and run g_sas again, seg fault again. After searching, I did this: source /usr/local/gromacs/bin/GMXRC Then g_sas worked fine( without the -q flag). But I've already sourced GMXRC.bash. Any clue? Terry -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
