[gmx-users] Clustsize and -mol option

[Moir, Michael (MMoir)]

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