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


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 6 Jul 2017 10:30:06 -0400

On Thu, Jul 6, 2017 at 9:32 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?

first you would have to teach (by c++ programming) compute
dihedral/local to select dihedrals by type and then you can feed the
result of it to fix ave/histo

axel.

>
> Thanks,
> Nima
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.