marrink-lab/martini_sour

Issues

• write output even if analysis for single window fails

  #17 opened 2 years ago by fgrunewald
  0

• analysis breaks if acid is not surrounded by water

  #16 opened 2 years ago by fgrunewald
  0

• min file with -DFLEXIBLE

  #15 opened 2 years ago by fgrunewald
  0

• implement multidir analysis option and take care of fitting

  #5 opened 3 years ago by fgrunewald
  0

• rewrite conv_coords

  #3 opened 3 years ago by fgrunewald
  0

• write tests

  #14 opened 3 years ago by selimsami
  0

• uniformity of the conv_coords vectors

  #12 opened 3 years ago by selimsami
  0

• Add cocktail recipe

  #8 opened 4 years ago by fgrunewald
  0

• add publication

  #7 opened 4 years ago by fgrunewald
  0

• add GH Actions

  #6 opened 4 years ago by fgrunewald
  0

• test for legacy proton counting

  #4 opened 4 years ago by fgrunewald
  0

• rewrite gen_itp

  #2 opened 4 years ago by fgrunewald
  0