psu4 / mmPBSA_enery_time_series

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(1) Usage: python mmPBSA_energy_plot.py -i -o -t -f

(2) Example: python mmPBSA_energy_plot.py -i input.csv -o output -t title -f 2400 (the frame number in the input.csv is 2,400)

(3) Output plots are jpg files

(3) Please make sure you have python, scipy, matplotlib installed

(4) Tested in python 2.7.6, matplotlib.pyplot-1.3.1, and Linux Redhat 5.0/Windows 7

(5) Written by Dr.Pin-Chih Su and Cheng-Chieh Tsai

(6) If you use this script, please cite: Journal of Computational Chemistry, 2015, 36,1859-1873

(7) More details are available at https://sites.google.com/site/2015pcsu/data-science/mmpbsa

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