[gmx-users] gmx clustsize
akash.pandya.15 at ucl.ac.uk
Mon Aug 20 21:25:44 CEST 2018
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)
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).
More information about the gromacs.org_gmx-users