Commits · 1e439ef46dffca30a6d3aed03ad9bb9831a9627b · courses / Gromacs · GitLab

Apr 21, 2023
- commented the awh mdp file · 1e439ef4
  Matti Javanainen authored Apr 21, 2023
  
  1e439ef4
Apr 20, 2023
- solvent: Added rdf and msd · 0170b01d
  Hector Mtz-Seara authored Apr 20, 2023
  
  0170b01d
- Sovent: clean notebook · 7b75bb35
  Hector Mtz-Seara authored Apr 20, 2023
  
  7b75bb35
- Solvent notebook · 0f5b26a9
  Hector Mtz-Seara authored Apr 20, 2023
  
  0f5b26a9
- updated positions.dat for a smaller bilayer · cd902cc8
  Javanainen Matti authored Apr 20, 2023
  
  cd902cc8
- Added link to paper + youtube video · 8791b317
  Javanainen Matti authored Apr 20, 2023
  
  8791b317
- added link to paper + youtube video · 841bcf20
  Javanainen Matti authored Apr 20, 2023
  
  841bcf20
- Merge branch 'main' of gitlab.com:hseara/spring_school2023_notebooks into main · 3d074bcd
  Javanainen Matti authored Apr 20, 2023
  
  3d074bcd
- lastfile fixed by Ricky the saviour. Added some figures as well. Works like a charmm (not 36) · f7701680
  Javanainen Matti authored Apr 20, 2023
  
  f7701680
- Membrane_protein: Changed paths figures Notebook · 1ed8a68c
  Hector Mtz-Seara authored Apr 20, 2023
  
  1ed8a68c
- Membrane_protein: Moved figuures to figs · f16aa5b9
  Hector Mtz-Seara authored Apr 20, 2023
  
  f16aa5b9
- missing figure · 795c02d2
  Javanainen Matti authored Apr 20, 2023
  
  795c02d2
- 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