Hi all, I am trying to find out how many clusters I have of my ligand during the course of my trajectory using gmx clustsize.
I type the following command and get an error message: gmx clustsize -s glycine.tpr -f glycine.gro -nc nclust.xvg -hc histo-clust.xvg -mol Program: gmx clustsize, version 2016.2 Source file: src/gromacs/fileio/matio.cpp (line 690) Fatal error: Lo: 0.000000, Mid: 1.000000, Hi: 1.000000 For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors Could anyone help me with this problem? I know for a fact that I don't just have one cluster of glycine (by inspection). Thank you, Akash -- 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.
