Commits · ca248b7649815a830262596c614da10630a2a5a2 · courses / Gromacs · GitLab

Apr 20, 2023
- Figures · ca248b76
  Javanainen Matti authored Apr 20, 2023
  
  ca248b76
- ideas for flip-flop analysis, incomplete · 5fc14ee3
  Javanainen Matti authored Apr 20, 2023
  
  5fc14ee3
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