You can use editconf -princ to orient it into the principal axis. Then with editconf -rotate specify proper vector of 90 degrees if required.
Jan ________________________________________ From: [email protected] [[email protected]] on behalf of Abed Askari [[email protected]] Sent: Friday, August 03, 2012 1:06 PM To: [email protected] Subject: [gmx-users] place carbon nanotube along the z direction Dear gmx-users I would like to orient my carbon nanotube along the z direction. would you please tell me how I can do that?Do I use any option other than -box when I use editconf or something?my command was editconf -f cnt.pdb -o cnt.gro -box 5 5 5 any help would be really appreciated. Best regards -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
