𝔖 Bobbio Scriptorium
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Complex dynamics variables for molecules and molecular clusters

✍ Scribed by Komarov, V.V.; Schmidt, L.; Fritsch, H.-W.; Jungclas, H.


Book ID
122723212
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
381 KB
Volume
2
Category
Article
ISSN
0927-0256

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Two traditional clustering algorithms are applied to configurations from a long molecular dynamics trajectory and compared using two sets of test data. First, a subset of atoms was chosen to present conformations which naturally fall into a number of clusters. Second, a subset of atoms was selected