[AMBER] How to convert the dihedral dataset into a probability mass function plotting

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From: ning via AMBER <amber.ambermd.org>
Date: Wed, 24 Aug 2022 22:05:51 +0800 (CST)

Hi Amber experts,

I want to convert a dihedral dataset of protein who have 72 residues into a PMF plotting. I used this scripts as following:

parm *.prmtop

trajin *.nc

multidihedral DIH phi psi resrange 1-72 out PhiPsi.dat

hist DIH[*] min -180 max 180 bins 100 free 300 out test.gnu

Whereas, my plotting looks like be completely wrong. Please help me, what is the wrong with this script? Thanks in advance.

Sincerely,

Ning
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Received on Wed Aug 24 2022 - 07:30:12 PDT