Hi all,
I want to add vertical lines to my histograms at the position of the initial and final angle values. With cpptraj after reading in parm and trajin, I generate histograms like this:
multidihedral phi_26 phi resrange 26 out phi_26.agr
go
multihist phi_26[*] out hist.phi_26.agr normint min -180 max 180 step 1
stat all out stat.phi_26.dat
go
In the stats I find the initial and final angle value.
Is there a way to tell cpptraj to add vertical lines or do you maybe know how to add this information to the header of the xmgrace .agr files later on?
cheers
Martin
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Received on Mon Feb 19 2018 - 05:00:02 PST
