File: ptraj.txt.save

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cpptraj 5.1.0%2Bdfsg-5
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#Desired Clusters: 5
#Clustering Algorithm: Means(1)
#Distance Metric: RMS
#Matrix Calculation Time: 0 seconds
#Total Calculation Time: 0 seconds
#Cluster 0 has average-distance-to-centroid 1.262266
#Cluster 1 has average-distance-to-centroid 1.054992
#Cluster 2 has average-distance-to-centroid 1.534600
#Cluster 3 has average-distance-to-centroid 1.851709
#Cluster 4 has average-distance-to-centroid 1.385099
#DBI: 1.12633
#pSF: 86.01192
#SSR/SST: 0.78184
#Clustering: 5 clusters
..............XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX......................................
.............................................................................XXXXXXXXXXXXXXXXXXXXXXXX
...............................................................XXXXXXXXXXXXXX........................
XXXXX......XXX.......................................................................................
.....XXXXXX..........................................................................................
##################################################################################
#Clustering: divide 101 points into 5 clusters
#Cluster    0: has    49 points, occurence 0.485
#Cluster    1: has    24 points, occurence 0.238
#Cluster    2: has    14 points, occurence 0.139
#Cluster    3: has     8 points, occurence 0.079
#Cluster    4: has     6 points, occurence 0.059
#Cluster    0 (0)      1   ..............XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
#Cluster    1 (1)      1   ..................................................
#Cluster    2 (2)      1   ..................................................
#Cluster    3 (3)      1   XXXXX......XXX....................................
#Cluster    4 (4)      1   .....XXXXXX.......................................
#Consensus             1   33333444444333000000000000000000000000000000000000

#Cluster    0 (0)     51   XXXXXXXXXXXXX.....................................
#Cluster    1 (1)     51   ...........................XXXXXXXXXXXXXXXXXXXXXXX
#Cluster    2 (2)     51   .............XXXXXXXXXXXXXX.......................
#Cluster    3 (3)     51   ..................................................
#Cluster    4 (4)     51   ..................................................
#Consensus            51   00000000000002222222222222211111111111111111111111

#Cluster    0 (0)    101   .
#Cluster    1 (1)    101   X
#Cluster    2 (2)    101   .
#Cluster    3 (3)    101   .
#Cluster    4 (4)    101   .
#Consensus           101   1

############################################################################################
#                                     Condensed Map                                         
#                                                                                                   
#    101 points divided into 50 windows, each window contains 2 or 3 points.          
#              occurence == 0.0                                                            
#       0.0 <= occurence <  0.1     .                                                      
#       0.1 <= occurence <  0.2     1                                                      
#       0.2 <= occurence <  0.3     2                                                      
#       0.3 <= occurence <  0.4     3                                                      
#       0.4 <= occurence <  0.5     4                                                      
#       0.5 <= occurence <  0.6     5                                                      
#       0.6 <= occurence <  0.7     6                                                      
#       0.7 <= occurence <  0.8     7                                                      
#       0.8 <= occurence <  0.9     8                                                      
#       0.9 <= occurence <  1.0     9                                                      
#       1.0 == occurence            X                                                      
#                                                                                          
#Clustering: divide 101 points into 5 clusters
#Cluster    0: has    49 points, occurence 0.485
#Cluster    1: has    24 points, occurence 0.238
#Cluster    2: has    14 points, occurence 0.139
#Cluster    3: has     8 points, occurence 0.079
#Cluster    4: has     6 points, occurence 0.059
#Cluster    0         5XXXXXXXXXXXXXXXXXXXXXXXX                   
#Cluster    1                                         XXXXXXXXXXXX
#Cluster    2                                  XXXXXXX            
#Cluster    3   XX   X5                                           
#Cluster    4     XXX