Commits · 13af627c127a3148cc333095a3466baf4f316bdc · Winokan, Max S Dr (PG/R - Maths & Physics) / GromacsOnEUREKA · GitLab

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Jan 20, 2022
- Extract · 13af627c
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 3 years ago
  
  13af627c
Feb 24, 2021
- Fixed help screen bug · 37cf8ef2
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  37cf8ef2
- More versions of gromacs supported. · ef9185b4
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  ef9185b4
Nov 25, 2020
- y-log option · 43a078e3
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  43a078e3
- support for make_ndx and velacc · 27645465
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  27645465
Oct 28, 2020
- update · 8c42af1f
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  8c42af1f
- update · 69e9e342
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  69e9e342
Aug 27, 2020
- angle parameters · 261b28b8
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  261b28b8
Aug 14, 2020
- Added remove atom · 84404382
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  84404382
- Reworked termini · c7500c13
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  c7500c13
Jul 16, 2020
- Typo in help screen · ece7f7e4
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  ece7f7e4
- Clear format on echo · b5d239be
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  b5d239be
Jul 13, 2020
- Merge branch 'master' of https://gitlab.eps.surrey.ac.uk/mw00368/GromacsOnEUREKA · e872c5ee
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  e872c5ee
- Cleanup · fd3fc7c0
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  fd3fc7c0
- Typo with search -sffb 4 atom typees · c0586a12
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  c0586a12
- List errors on finishUp · 43cc8ddf
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  43cc8ddf
Jul 02, 2020
- Merge branch 'master' of https://gitlab.eps.surrey.ac.uk/mw00368/GromacsOnEUREKA · 3668e65d
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  3668e65d
- plot arbitrary PDBs · 7ed33ee2
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  7ed33ee2
Jun 30, 2020
- Minimal A*T* support · 35169633
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  35169633
Jun 29, 2020
- catch single errors · fce75a21
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  fce75a21
- -sffb line numbers · a80a50a9
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  a80a50a9
- bugs · 5b42185c
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  5b42185c
- Improvements to finishUp and gmxRet · c57fdd98
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  c57fdd98
- -ffb · 39f8c4c5
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  39f8c4c5
- -srtp bugs · d5ef0dc0
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  d5ef0dc0
- -srtp bugs · aa4d4408
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  aa4d4408
- C36custom as default for -srtp, and cleanup · b46927cb
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  b46927cb
Jun 26, 2020
- Support for ten column PDB, & more custom residue names · ac2458c4
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  ac2458c4
Jun 25, 2020
- get rid of GMX backups in finishUp, better SELECT checking · b284f46b
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  b284f46b
- Different definition for the res_string · 0953515d
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  0953515d
- Removed buggy junk for GC naughty angle opt · 171e0590
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  171e0590
- Fixed conflicts · 9ecf6189
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  9ecf6189
- Write angle stats to datafilee · 29c218cc
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  29c218cc
Jun 18, 2020
- Fix naughty angles · e5b3e493
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  e5b3e493
- Variable index adjustment · cfc2c047
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  cfc2c047
- Index=0 error · 992ca5bc
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  992ca5bc
- Merge branch 'master' of https://gitlab.eps.surrey.ac.uk/mw00368/GromacsOnEUREKA · 6d0f726a
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  6d0f726a
- Don't make graphs if there are not enough timesteps · 550d07a9
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  550d07a9
Jun 17, 2020
- Merge branch 'master' of https://gitlab.eps.surrey.ac.uk/mw00368/GromacsOnEUREKA · 6592c59f
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  6592c59f
- Super simple ASE converter. · b7c313c6
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  b7c313c6