histogram of dihedral angles

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1

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

2

Compute dihedral/local will calculate all dihedral angles.

Then compute reduce can average them, fix ave/time

can average them over time, etc

Steve

3

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.