Hi, I want to calculate distance between com of 2 groups (3 and 8)
gmx_mpi distance -f md.xtc -s md.tpr -n index.ndx -oav dist.xvg After that: Available static index groups: Group 0 "System" (27599 atoms) Group 1 "Other" (716 atoms) Group 2 "MMM" (704 atoms) Group 3 "LIG" (12 atoms) Group 4 "Water" (26883 atoms) Group 5 "SOL" (26883 atoms) Group 6 "non-Water" (716 atoms) Group 7 "MMM_LIG" (716 atoms) Group 8 "MMM_com" (44 atoms) Specify any number of selections for option 'select' (Position pairs to calculate distances for): (one per line, <enter> for status/groups, 'help' for help, Ctrl-D to end) > ^C How to use option -select? Please guide me to use -select. Thanks AB -- 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.
