public void setUp() throws IOException {
String files = "/home/marscher/md_simulation_data/trajall_500K.xtc";
IDataReader loader = API.dataNew.reader(files);
IDataSequence data = loader.load();
IMetric metric = API.clusterNew.metric(0, 0);
this.algo = API.clusterNew.kmeans(data, metric, 10, 100);
}