JMorado/ParaMol

Issues

• System.system.read_data is unable to read conformations from .nc file generated by MDAnalysis

  #82 opened 2 years ago by CornyC
  1

• platform selection in parallel mode does not work

  #81 opened 2 years ago by CornyC
  2

• Torsion scan unit nanometer vs nanometer**2

  #80 opened 3 years ago by pbute
  0

• FloatingPointError: invalid value encountered in double_scalars

  #66 opened 3 years ago by kexul
  15

• parameterization of partial charge of symmetric molecules.

  #65 opened 3 years ago by xiki-tempula
  3

• Adaptive parameterization question

  #57 opened 3 years ago by mmagithub
  1

• Errors in the examples

  #52 opened 3 years ago by mmagithub
  7