1. 28 Apr, 2017 3 commits
  2. 27 Apr, 2017 2 commits
  3. 26 Apr, 2017 2 commits
  4. 20 Apr, 2017 2 commits
  5. 18 Apr, 2017 1 commit
  6. 17 Apr, 2017 2 commits
  7. 14 Apr, 2017 1 commit
  8. 11 Apr, 2017 2 commits
  9. 07 Apr, 2017 2 commits
  10. 05 Apr, 2017 2 commits
    • Stephen Constable's avatar
      Fixed field support in group file · d4b1ced1
      Stephen Constable authored
      The old _is_gro_coord function inexplicably used split() even though
      gro files fixed field (nb: the parsing was still done correctly).  Now
      it uses fixed field substrings.
      d4b1ced1
    • Stephen Constable's avatar
      Code cleanup · b0cf367c
      Stephen Constable authored
      I have made things more technically correct: GROMACS processes pairs
      and exclusions separately.  Also added proper support for fudgeLJ term.
      Also added improved gro file parsing (technically it’s a fixed-field
      format but this works too).
      b0cf367c
  11. 01 Apr, 2017 2 commits
  12. 31 Mar, 2017 3 commits
  13. 23 Mar, 2017 1 commit
  14. 28 Feb, 2017 1 commit
  15. 27 Feb, 2017 1 commit
  16. 01 Feb, 2017 1 commit
  17. 26 Jan, 2017 1 commit
  18. 13 Jan, 2017 1 commit
  19. 09 Jan, 2017 1 commit
  20. 05 Jan, 2017 1 commit
  21. 02 Dec, 2016 2 commits
  22. 23 Nov, 2016 1 commit
  23. 11 Nov, 2016 3 commits
  24. 10 Nov, 2016 1 commit
  25. 09 Nov, 2016 1 commit