Hi all,
I was wondering about timing in cluster output from ptraj.
Is there any sense to time at all in the output? What I mean is looking at
the output given below, does it mean that clusters 2 and 3 are the main
clusters AFTER a time when the structure is mostly close to cluster 1?
Thanks!
Lepka.
############################################################################################
# Condensed
Map
#
# 6966 points divided into 50 windows, each window contains 139 or 140
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 6966 points into 4 clusters
#Cluster 0: has 108 points, occurence 0.016
#Cluster 1: has 977 points, occurence 0.140
#Cluster 2: has 3936 points, occurence 0.565
#Cluster 3: has 1945 points, occurence 0.279
#Cluster 0 6 ..
#Cluster 1 3X9992 .X95 . .
#Cluster 2 ....2 .365799652.59789898727886888767887666886
#Cluster 3 .7997 ..342..34794.21.1.1272113111232112333113
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Received on Wed May 11 2011 - 10:30:02 PDT
