[gmx-users] Re:g_clustsize problem

Wang Zhun wangzhun at pumc.edu.cn
Tue Mar 14 12:37:23 CET 2006

Hi, David,

Now I've got 12 clusters from my traj.trr and cluster members as well by g_cluster,
should I calculate the size of clusters by each #st/total #st, ie, for cluster 12 38765/(1+8+21+141+...+38765)?

The g_clustsize "computes the size distributions of molecular/atomic clusters in
the gas phase. The output is given in the form of a XPM file. The total
number of clusters is written to a XVG file."(taken from help file).Is it not suitable to use g_clustsize command for my peptide in water solution ?


More information about the gromacs.org_gmx-users mailing list