Use the -na and -da flags. trjorder doesn't know how to order the molecules without these.
-Justin > Quoting Dmytro Kovalskyy <[EMAIL PROTECTED]>: > > > > It works fine for me under 3.3.1 - what command line are you issuing? > > trjorder -f traj.xtc -s topol.tpr -o 5A -nshell 5A -r 0.5 > > > > > > -Justin > > > > > > Quoting Dmytro Kovalskyy <[EMAIL PROTECTED]>: > > > > > >> > > >> Trjorder does not write trajectory file, only nshell.xvg > > >> > > >> This is true for 3.3.2 and 3.3.1 versions. > > >> > > >> Dima > > >> > > >> > > >> _______________________________________________ > > >> 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 > > >> > > > > > > > > > > > > ========================================================= > > > > > > Justin A. Lemkul > > > Graduate Research Assistant > > > Department of Biochemistry > > > Virginia Tech > > > Blacksburg, VA > > > [EMAIL PROTECTED] | (540) 231-9080 > > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ > > > > > > ========================================================= > > > > > > > > > !DSPAM:47367e03304461801161890! > > > > > > > > > > > > > > > > ========================================================= > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > [EMAIL PROTECTED] | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ > > ========================================================= ========================================================= Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ========================================================= _______________________________________________ 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
