Dear Users,
I want to calculate the population of distances of some atoms with
specified atom during MD simulation, say, I have an atom X and I want to
calculate the population of distances between X and C1, X and C2, X and C3
in MD trajectories, here C1, C2, C3 are atoms closer to X.
Is it possible to do with cluster command in cpptraj? I will be very
thankful if someone can provide me an example to perform this calculation.
I will be thankful to all suggestions.
Best regards
Kshatresh
--
With best regards
************************************************************************************************
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel
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Received on Mon Jun 15 2015 - 01:00:03 PDT
