-.TH g_cluster 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c"
+.TH g_cluster 1 "Fri 18 Jan 2013" "" "GROMACS suite, VERSION 4.5.6"
.SH NAME
g_cluster - clusters structures
-.B VERSION 4.5.4-dev-20110404-bc5695c
+.B VERSION 4.5.6
.SH SYNOPSIS
\f3g_cluster\fP
.BI "\-f" " traj.xtc "
\&\fB \-cl\fR writes average (with option \fB \-av\fR) or central
\&structure of each cluster or writes numbered files with cluster members
\&for a selected set of clusters (with option \fB \-wcl\fR, depends on
-\&\fB \-nst\fR and \fB \-rmsmin\fR).
+\&\fB \-nst\fR and \fB \-rmsmin\fR). The center of a cluster is the
+\&structure with the smallest average RMSD from all other structures
+\&of the cluster.
.SH FILES
.BI "\-f" " traj.xtc"
Use RMSD of distances instead of RMS deviation
.BI "\-nlevels" " int" " 40"
- Discretize RMSD matrix in levels
+ Discretize RMSD matrix in this number of levels
.BI "\-cutoff" " real" " 0.1 "
RMSD cut\-off (nm) for two structures to be neighbor
Write average iso middle structure for each cluster
.BI "\-wcl" " int" " 0"
- Write all structures for first clusters to numbered files
+ Write the structures for this number of clusters to numbered files
.BI "\-nst" " int" " 1"
- Only write all structures if more than per cluster
+ Only write all structures if more than this number of structures per cluster
.BI "\-rmsmin" " real" " 0 "
minimum rms difference with rest of cluster for writing structures