OpenBioSim/somd2

Issues

• Missing soft-core parameters

  #56 opened a month ago by lohedges
  0

• [Feature Request] BAR style calculation

  #54 opened 2 months ago by akalpokas
  1

• Instructions to use CUDA platform

  #46 opened 5 months ago by jmichel80
  0

• Reproducibility and Stability of ABFE Calculations

  #18 opened 10 months ago by fjclark
  7

• [Feature request] Add the ability to manually define the set of lambda values used for simulation

  #41 opened 6 months ago by mb2055
  0

• [Feature Reqeuest] Raise warning when HMR factor is < 1.0

  #37 opened 7 months ago by akalpokas
  0

• [BUG] HMR Search Causes Crashes In Systems With No Perturbable Hydrogen Molecules

  #36 opened 7 months ago by akalpokas
  3

• [Bug] Integrator option from the config is not passed to the sire dynamics

  #32 opened 7 months ago by fjclark
  1

• [BUG] Checkpointing Causes Memory Crashes On Large Systems

  #28 opened 7 months ago by akalpokas
  1

• [BUG] Simulation Crashes Due To Periodic Box Shrinking

  #29 opened 7 months ago by akalpokas
  4

• [BUG] Simulation start fails when using --restart with a missing checkpoint file.

  #24 opened 8 months ago by mb2055
  0

• BUG - Simulations unable to restart from checkpoint files

  #20 opened 9 months ago by mb2055
  1

• [BUG] somd1 perturbation compatibility mode assumes potentials are ordered

  #22 opened 9 months ago by lohedges
  0

• [BUG] Appling HMR and higher timestep results in simulation instability

  #13 opened a year ago by akalpokas
  20

• [BUG] Equilibration causing instability

  #9 opened a year ago by mb2055
  0

• [BUG] GPU utilisation unstable during bound runs

  #8 opened a year ago by akalpokas
  7

• Unable to use input system with HMR applied

  #6 opened a year ago by lohedges
  0