NNairIITK / Enhanced_Sampling_Methods_Tutorials

Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

Enhaced Sampling Methods Tutorials

  • Molecular Dynamics(MD): Will be updated soon
  • Umbrella Sampling(US) : will be updated soon
  • Metadynamics(METAD) : Will be updated soon
  • Replica Exchange MD(REMD)
    : Updated
  • Well Sliced Metadynamics(WS-METAD) : Will be updated soon
  • Replica Exchange Solute Scaling(REST2)
    : Updated
  • Temperature Accelerated Sliced Sampling(TASS) : Updated
  • Temperature Accelerated Molecular Dynamics(TAMD) : Updated
  • Bias Exchange Metadynamics(BE-MetaD): Will be updated soon
  • Parellel_Bias Metadynamics(PB-MetaD): Will be updated soon

Tutorials Website:The NNN Group

Keep looking at this page for more updates

    Cheers !!!
    Anji Babu

About

Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..


Languages

Language:Shell 93.3%Language:Fortran 6.7%