Commits · d43ca172cc90f927f1a30c42669c624098f23939 · Winokan, Max S Dr (PG/R - Maths & Physics) / GromacsOnEUREKA · GitLab

Snippets Groups Projects

Apr 08, 2022
- support for different executable names · d43ca172
  Max Winokan authored 2 years ago
  
  d43ca172
Nov 25, 2020
- 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
Jul 13, 2020
- List errors on finishUp · 43cc8ddf
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  43cc8ddf
Jun 29, 2020
- catch single errors · fce75a21
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  fce75a21
- Improvements to finishUp and gmxRet · c57fdd98
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  c57fdd98
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
May 29, 2020
- Fixed bug with totalCharge if its negative · 4c8ee47c
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  4c8ee47c
May 28, 2020
- cleanDir() · 5ab50661
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  5ab50661
May 22, 2020
- Updated amp_stats calls · e27ebfa5
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  e27ebfa5
May 11, 2020
- xvg2png: Automatically assign title from XVG comments unless a title is supplied · 6a560b77
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  6a560b77
May 03, 2020
- Remove scratch directory when done · b93492d2
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  b93492d2
Apr 28, 2020
- Changed finished job directory naming scheme · 54ead3a4
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  54ead3a4
Apr 26, 2020
- Added return codes to several functions. · 16fefc97
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  16fefc97
Apr 20, 2020
- 'gromax energy|trjconv|gyrate -2groups' flag, and dnaBondStats wrapper. · 8cb65083
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  8cb65083
Apr 06, 2020
- First ports from MShTools · 236470dc
  Winokan, Max S Dr (PG/R - Maths & Physics) authored 4 years ago
  
  236470dc