Re: [gmx-users] make index group
Mark Abraham wrote: Bing Bing wrote: Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. So use a group that does exist. If you're copying an index group creation recipe from some tutorial, go back to that and understand what this step is designed to achieve, and then adjust it to suit your new context. In addition to Mark's advice, please see the wiki page for g_order; it explains exactly how to create the necessary index groups. If you're merging groups on into one, as it appears you are, you're doing it wrong. http://oldwiki.gromacs.org/index.php/g_order -Justin -- Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ___ 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] make index group
Bing Bing wrote: Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. So use a group that does exist. If you're copying an index group creation recipe from some tutorial, go back to that and understand what this step is designed to achieve, and then adjust it to suit your new context. Mark ___ 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] make index group
Dear all, I'm trying to perform order parameter analysis. I 've use :- make_ndx_d -f xxx.tpr -o sn1.ndx > 15 & a Cxx |... >q i've got this error :- Group 15 not exist. I did not make index before I proceed with grompp for the mdrun, is it cause by this? thanks. Regards, bing ___ 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