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# %load Plot.py
import pandas as pd
import matplotlib.pyplot as plt
import matplotlib
%matplotlib inline
f, (ax1, ax2) = plt.subplots(1, 2)
#plt.suptitle('OPLS-AA/M in NAMD vs GMX')
df = pd.read_csv('ANALYSIS_ZZZ.csv',delim_whitespace=True)
df[['RES','BOND','ANGLE','DIHEDRAL','IMPROPER','VDWL']].plot(kind='box',ax=ax1,rot=45)
ax1.set_ylabel('GMX - NAMD')
df[['RES','ELEC','TOTAL']].plot(kind='box',ax=ax2,rot=41)
ax2.set_ylabel('GMX - NAMD')
#plt.show()
plt.tight_layout()
plt.savefig('RES_ZZZ.pdf')
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df.sort_values(['BOND']).tail(1)
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df.sort_values(['ANGLE']).tail(1)
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df.sort_values(['DIHEDRAL']).tail(1)
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df.sort_values(['IMPROPER']).tail(1)
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df.sort_values(['VDWL']).tail(1)
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