Is there a simple way to script the gmx density tool as to circumvent the need to manually select the groups from within the program? i.e. is there a way to specify the groups during the command call such as:
gmx density -f traj.xtc -s input.tpr -ng 2 -grps 5,8 where -grps lets me tell it what groups to select for. Or would I need to modify the code myself to achieve this? My Best, Guy Dayhoff -- 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.
