Hi all,
I know that currently SMD simulations at constant force are not directly
possible in AMBER. Dr. Roitberg, in one of his emails to the Mail Reflector,
has explained very briefly a method for pulling with constant force. Here is
his explanation: “You can have a moving center if you want to apply a
constant velocity pull, or user the ends of the flatwell restraint to fake
constant force pullings (Thanks to Dan Roe for this last insight!).” Could
you please help to clear the method that has been suggested by Dr. Roitberg
or other suitable methods, in details, for constant force pulling?
Thank you very much,
Ali
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Received on Thu Apr 28 2011 - 06:00:04 PDT
