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OpenFreeEnergy / openfe_analysis Public

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adds trjconv command#28

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richardjgowers wants to merge 4 commits intomainOpenFreeEnergy/openfe_analysis:mainfrom

trjconvOpenFreeEnergy/openfe_analysis:trjconvCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Closed

adds trjconv command#28
richardjgowers wants to merge 4 commits intomainfrom
trjconv

Commits

Commits on Nov 23, 2023

handle negative values for state and replica in Reader
richardjgowers
committed
quick docstring for rfe_analysis
richardjgowers
committed
adds trjconv command
richardjgowers
committed

Commits on Feb 27, 2024

finish up state='all' option to trjconv
richardjgowers
committed

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