RE: [gmx-users] Z-position calculation
Hi, To get the z coordinate of the center of mass of a molecule I use the following command: echo "number of molecule" | g_traj -f xxx.xtc -s xxx.tpr -n xxx.ndx -nox -noy -com -ox xxx.xvg I guess you can create an .ndx file for a lipid head group to get the z coordinate of this. Regards, Sarah -Original Message- From: gmx-users-boun...@gromacs.org on behalf of TJ Piggot Sent: Tue 06-10-2009 11:55 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Z-position calculation Hi, You could also try g_bundle -z, it might do what you want. Cheers Tom --On Tuesday, October 06, 2009 11:04:29 +0200 XAvier Periole wrote: > > > g_traj with an index and playing with the different options. > > > > On Oct 6, 2009, at 11:01 AM, Moutusi Manna wrote: > > Dear all, > I want to calculate the vertical position (Z-axis) of > different lipid head groups as a function of time. > Looking forward for any suggestion. > Thanks in advance, > Moutusi Manna > > > __ > Now, send attachments up to 25MB with Yahoo! India Mail. Learn > how.___ > gmx-users mailing listgmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > -- TJ Piggot t.pig...@bristol.ac.uk University of Bristol, UK. ___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] Z-position calculation
Hi, You could also try g_bundle -z, it might do what you want. Cheers Tom --On Tuesday, October 06, 2009 11:04:29 +0200 XAvier Periole wrote: g_traj with an index and playing with the different options. On Oct 6, 2009, at 11:01 AM, Moutusi Manna wrote: Dear all, I want to calculate the vertical position (Z-axis) of different lipid head groups as a function of time. Looking forward for any suggestion. Thanks in advance, Moutusi Manna __ Now, send attachments up to 25MB with Yahoo! India Mail. Learn how.___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- TJ Piggot t.pig...@bristol.ac.uk University of Bristol, UK. ___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Re: [gmx-users] Z-position calculation
g_traj with an index and playing with the different options. On Oct 6, 2009, at 11:01 AM, Moutusi Manna wrote: Dear all, I want to calculate the vertical position (Z-axis) of different lipid head groups as a function of time. Looking forward for any suggestion. Thanks in advance, Moutusi Manna Now, send attachments up to 25MB with Yahoo! India Mail. Learn how.___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] Z-position calculation
Dear all, I want to calculate the vertical position (Z-axis) of different lipid head groups as a function of time. Looking forward for any suggestion. Thanks in advance, Moutusi Manna Yahoo! India has a new look. Take a sneak peek http://in.yahoo.com/trynew___ gmx-users mailing listgmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
