Hi i'm doing umbella sampling. whenever i use gmx distance after pulling in V.5.1.4 , i wouldn't have proper dist.xvg file. I did what you said Mr.Justin ( as you refered me to this link http://manual.gromacs.org/documentation/2018-latest/user-guide/cmdline.html#g-dist) but still there are some problems.
[ ZnS ] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45.............. [ Protein ] 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 command; gmx distance -n index.ndx -f conf0.gro -select 'com of group "ZnS" plus com of group "Protein"' -oxyz -oall i exactly select index groups!!! ------------------------------------------------------- Program: gmx distance, VERSION 5.1.4 Source file: src/gromacs/selection/selectioncollection.cpp (line 616) Function: void gmx::SelectionCollection::setI ndexGroups(gmx_ana_indexgrps_t*) Inconsistency in user input: Invalid index group reference(s) Cannot match 'group "ZnS"', because no such index group can be found. Cannot match 'group "Protein"', because no such index group can be found. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------------ --------------------------------- -- 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.
