Dear All I have a system of 40 solute molecules in 480 crown ether solvent molecules. When I ran the msd analysis on the solvent molecules using the following comand.
g_msd_login_d -f traj.trr -s topol.tpr -mol -o 1_12_400K_sol_msd.xvg I get a segmentation fault as follows Select a group: 4 Selected 4: 'SOL' Split group of 16800 atoms into 480 molecules trn version: GMX_trn_file (double precision) Reading frame 800 time 40000.000 Segmentation fault However when I perform the same analysis on the solute molecules it runs to completion. I have checked the configuration of the system at frame 800 and everything seems to be fine. I have also analysed the energy and there seems to be no problem. Has anybody any idea of what might be happening? Cheers Gavin -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
