Although I have successfully used clustsize for identifying clusters of atoms, I am stymied by the -mol option for evaluating clusters of molecules. A command such as:
gmx clustsize -s system1.tpr -f system1.xtc -nc -n index.ndx Works fine for obtaining information about clusters of atoms, but: gmx clustsize -s system1.tpr -f system1.xtc -nc -n index.ndx -mol gives a fatal error in Source file: src/gromacs/fileio/matio.cpp (line 681) My index file consists of the list of atoms under headings like [HP6]. Any thoughts? Mike Moir -- 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.
