Jonathan Barnoud jbarnoud
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| """ | |
| Read Gromacs index files for MDAnalysis. | |
| """ | |
| import numpy as np | |
| def ndx_to_ag(atoms_or_universe, infile): | |
| """ |
jbarnoud
/ chainreader comparison.ipynb
Created
June 30, 2018 14:11
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jbarnoud
/ unique benchmark.ipynb
Last active
June 23, 2018 07:49
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jbarnoud
/ expose trjcat.ipynb
Created
May 27, 2018 06:14
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jbarnoud
/ functions_PvL2018.ipynb
Created
April 23, 2018 12:04
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jbarnoud
/ issue-RepairGraph-PR2.ipynb
Created
April 12, 2018 08:03
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jbarnoud
/ issue-RepairGraph-PR2.ipynb
Created
April 11, 2018 20:05
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jbarnoud
/ issue-RepairGraph.ipynb
Created
April 11, 2018 19:33
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jbarnoud
/ issue-RepairGraph-PR2.ipynb
Created
April 11, 2018 11:32
Demonstration of a RepairGraph issue
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jbarnoud
/ Bench split per molecule.ipynb
Created
August 3, 2017 12:28
Benchmark on spliting a TPR universe per molecule using molnums
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