We would like to invite you to participate in the upcoming one-day meeting
"Free Energy Calculations from Molecular Simulation"
31st of May 2017, London


  • Structure file (.pdb):
  • ...
  • Force field selection:
  • Amber99SB*ILDN
    Amber99SB
    Charmm36
    Charmm22*
    OPLS AA/L
  • Number of mutations:
  • Perform a scan:
  • Select mutations:
  • 1. Chain ID
    (optional):
    1. Amino acid
    number:
    1. Mutate to:
  • Use pdb2gmx to assign hydrogens?
  • email (optional):
  • Submit the query: