2022-04-20 12:08:38 +00:00
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"""
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Plotting the Temperature from an Energy File
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============================================
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This example reads an Gromacs energy file and plots the evolultion and mean of the temperature.
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"""
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from matplotlib import pyplot as plt
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2023-12-18 13:47:22 +00:00
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from src import mdevaluate as md
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2022-04-20 12:08:38 +00:00
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import tudplot
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tudplot.activate()
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edr = md.open_energy('/data/niels/sim/water/bulk/300K/out/energy_water1000bulk300.edr')
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T = edr['Temperature']
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plt.plot(edr.time, T)
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plt.plot(edr.time[[0, -1]], [T.mean(), T.mean()])
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