Quick-Start Notes for Desmond (Maestro Suit)

To start Maestro: type at the prompt$SCHRODINGER/maestro

Import the protein:project--> Import Structure

Prepare the protein:Workflows---> Prot Prep wizard

Start System Builder:Applications > Desmond > System Builderminimization of volume at this step will reduce the computation time.

ions: 0ion placement: NeutralizeSalt conc: 0.15 M

Now we are ready to perform the Desmond simulation.Applications > Desmond > Run Desmond

dont forget to selectRelax model system before simulation

Start button will become active only when the CPUs/subjob is changed to Four (or whatever is correct for the computer).

Questions to:Manish Chandra Pathak, Ph.D.Department of BiochemistryEmory University School of Medicine1510 Clifton Road, NE, Room G235Atlanta, GA 30322 USATel: +1-404-727-2563 Fax: +1-404-727-2738email: mcpatha@emory.edu