Mark,thanks for your reply. I am not sure what happened and I can show you the error message," Group 101 ( chK_chM) has 4070 elements Group 102 ( chM_chO) has 4070 elements Group 103 ( chO_chI) has 4070 elements Group 104 ( chJ_chL) has 4070 elements Group 105 ( chL_chN) has 4070 elements Group 106 ( chN_chP) has 4070 elements Group 107 ( chP_chJ) has 4070 elements Select a group: 22 Selected 22: 'chC' Reading frame 1 time 20001.000 Segmentation fault [miro:~/rubisco-2/chlamy_wt] % more chlamy_wt.xtc " Thanks. Tang jiaowei
On Wed, 2007-10-24 at 00:43 +1000, Mark Abraham wrote: > tangxuan wrote: > > Dear all, > > The protein I am working on is rubisco, consisting of 8 identical > > large subunits and 8 identical small subunits. I try to calculate RMSF > > for each large subunits, but the rmsf values seems much large to some > > large subunits. So I check the first frame of the protein structutre, > > and I found that these large subunits having large rmsf values seems > > separate in the box. Then I tried to use trjconv -pbc nojump to remove > > the jump for each of them in the xtc file. When I use new xtc file and > > original tpr file to calculate the rmsf, it shows " Segmentation fault" > > error. This may be because the coordinators of atoms in the tpr file > > are very diffrent from that in the fist frame. Do you know how to solve > > this problem? > > GROMACS does an inexplicable segfault almost never. It's highly likely > that either there's more of an error message than you've said, or that > the problem is the result some catastrophic filesystem or OS issue. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php