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Re: [lammps-users] histogram of dihedral angles
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Re: [lammps-users] histogram of dihedral angles


From: Steve Plimpton <sjplimp@...24...>
Date: Thu, 6 Jul 2017 08:22:03 -0600

Compute dihedral/local will calculate all dihedral angles.
Then compute reduce can average them, fix ave/time
can average them over time, etc

Steve

On Thu, Jul 6, 2017 at 7:32 AM, Nima Emadi <deeepsky@...24...> wrote:
Dear All,

What would be the way to calculate the averaged histogram of all the
dihedral angles of a particular dihedral-angle type without
post-processing?

Thanks,
Nima

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