[AMBER] Histogram analysis of the dihedral distributions using cpptraj

From: James Starlight <jmsstarlight.gmail.com>
Date: Fri, 27 Mar 2015 16:13:10 +0100

Dear Amber users!

I need to analyze several md trajectories of the receptor-ligand
complexes to obtain some structural information on level of receptor's
individual residues. For each of the trajectory I need to calculate
distributions of dihedral angles within specified receptor's residues
and obtain the information in histogram form to compare such outputs
and to see how the presence of different ligands alter its equilibrium
dynamics. I'll be expecially thankful for example of cpptraj commands
sequence for such kind of the analysis as well as its additional tools
which could produce relevant information in my task.

Thanks alot!


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Received on Fri Mar 27 2015 - 08:30:02 PDT
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