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Commits · 702c6c60970d9f43bdf26213cde2d01b780ce221

gromacs

Apr 19, 2023
- switched to GROMACS hydrogen bonding analysis. NGL is fine. Added some figures... · 702c6c60
  Matti Javanainen authored Apr 19, 2023
  702c6c60
- nglview working, only 'lastfile' issue remains · c7466c3b
  Matti Javanainen authored Apr 19, 2023
  
  c7466c3b
- Unified the handling of the MOLNAME variable into Python variable · 63b28f1d
  Matti Javanainen authored Apr 19, 2023
  
  63b28f1d
Apr 18, 2023
- Updates, hydrogen analysis not working with gro files · 9ef682cd
  Matti Javanainen authored Apr 18, 2023
  
  9ef682cd
- Membrane protein tutorial for day 1, preliminary version · e4cbc07f
  Matti Javanainen authored Apr 18, 2023
  
  e4cbc07f
- Merge branch 'main' of gitlab.com:hseara/spring_school2023_notebooks · ee2f5698
  Matti Javanainen authored Apr 18, 2023
  
  ee2f5698
- Permeation, issues with NGLview / 'lastfile' / insane remain · 8e08cfda
  Matti Javanainen authored Apr 18, 2023
  
  8e08cfda
- Delete awh.mdp, taken from MDPs/ · 9ad1ac9b
  Matti Javanainen authored Apr 18, 2023
  
  9ad1ac9b
- partitioning initial, mistakes remain · 15ba354e
  Matti Javanainen authored Apr 18, 2023
  
  15ba354e

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