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import pandas as pd | |
words = pd.read_table( | |
"https://static.nytimes.com/newsgraphics/2022/01/25/wordle-solver/assets/solutions.txt", | |
header=None, | |
)[0] | |
letters = "[qwtyuiopdfghjkzxvbnm]" | |
words[ |
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def convert_univ_to_nmd(u, nmd_name, title='generic_title'): | |
""" | |
Convert MDAnalysis.Universe normal mode trajectory to nmd format | |
u should be a MDAnalysis.Universe with each frame of the trajectory | |
being the cartesian displacements for a single normal mode. | |
For example, the trajectory written by the nmeig tool of GROMACS | |
(http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-nmeig.html) | |
gives an appropriate trajectory with the -v option. | |
The file written with nmd_name will be in the nmd format that |
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