Dear all,
I understand that this is quite a basic question, but I think I need a fresh set of eyes to figure out what¹s going on with gmx distance -select syntax. In my index file, I have 23 groups, two of which are ³ZINC² and ³CARBONYL² Based on numerous mail archive suggestions and the gromacs website change in tools page, I¹m using: $CHEM/rungromacs505 gmx distance -n index.ndx -f umb_1_all.trr -s umb_1_umb.tpr -oh umb_1_distance_hist.xvg -oall umb_1_distance.xvg -select 'com of group "ZINC" plus com of group "CARBONYL"' Which kicks up the error: Invalid command-line options In command-line option -select In keyword 'com' required parameter 'of' not specified invalid selection 'com' In command-line option -select syntax error invalid selection 'group' In command-line option -select syntax error invalid selection 'plus' In command-line option -select In keyword 'com' required parameter 'of' not specified invalid selection 'com' In command-line option -select syntax error invalid selection 'group' I¹d appreciate any suggestions. I¹ve also tried to do *something* via the interactive command line (when -select is not supplied), but what it¹s asking for is a bit cryptic. Thanks Anthony -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.