Simpatico  v1.10

Synopsis

This analyzer identifies micellar clusters present in the system every interval steps and accumulates a histogram of observed cluster sizes, which is output at the end of the simulation.

Parameters

The parameter file format is:

ClusterHistogram{
interval int
outputFileName string
speciesId int
atomTypeId int
cutoff double
histMin int
histMax int
}

in which

interval number of steps between data samples
outputFileName name of output file
speciesId integer index of molecular species
atomTypeId integer index of selected (core block) atom type
cutoff neighbor cutoff distance
histMin minimum size (aggregation number) in histogram
histMax maximum size (aggregation number) in histogram

Output Files

Output histogram of cluster size frequencies {outputFileName}.dat in two column format. Entries in the first column are values of aggregation number, i.e., the number of molecules in a cluster. Entries in the second column are probabilties of finding a cluster of that size in a single snapshot.