change in environment files, input file, tutorial, init_notebooks

Changes

  • init_notebooks to account for deprecation connected with IPython.display
  • environment file change to have correct dependencies and to reduce deployment time on mybinder
  • add an environment file without gromacs to use in specific case
  • command line in the tutorial files to fix minor issue and to avoid dependence of MDanalysis from tpr file
  • change em.mdp to make the non-bonded parameters consistent between em.mdp and df.mdp

Merge request reports

Loading