Dear Amber users!
I'd like to calculate distribution of some value along the trajectory to
obtain its statistical distribution during the simulation. In my case the
calculated values are 1) distance between 2 atoms and 2) dihedral angle
which characterize rotation of some side-chain. I'd be thankful if someone
provide me with the cpptraj commands which can be used for such kind of the
analysis as well as amber-masks for the proper selection of the dihedrals.
James
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Received on Wed Feb 18 2015 - 02:00:03 PST
