Regarding the atom mask for dihedral angles, does google give you nothing?
Hai
> On Feb 18, 2015, at 4:51 AM, James Starlight <jmsstarlight.gmail.com> wrote:
>
> 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 - 03:00:02 PST
