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import numpy as np    
from emus import usutils as uu
from emus import emus, avar
import matplotlib.pyplot as plt


    

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# Define Simulation Parameters
T = 310                             # Temperature in Kelvin
k_B = 1.9872041E-3                  # Boltzmann factor in kcal/mol
kT = k_B * T 
meta_file = 'wham_meta.txt'         # Path to Meta File
dim = 1                             # 1 Dimensional CV space.
period = 360                        # Dihedral Angles periodicity
nbins = 60                          # Number of Histogram Bins.

# Load data
psis, cv_trajs, neighbors = uu.data_from_WHAMmeta('wham_meta.txt',dim,T=T,k_B=k_B,period=period)
z, F = emus.calculate_zs(psis,neighbors=neighbors,)


    

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