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Generate hybrid structures/topologies for amino acid mutations

  • 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: