[AMBER] Population analysis

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Mon, 15 Jun 2015 10:54:25 +0300

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
With best regards
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel
AMBER mailing list
Received on Mon Jun 15 2015 - 01:00:03 PDT
Custom Search