Dear Amber users!
I'd like to use some IS amber model for the simulation of the membrane
protein. In particular I'd like to do NVT simulation with the applied
position restraints on all secondary structure elements of my protein (to
prevent conformation changes in its)
restraint_wt=10.0,
restraintmask=':6-33,40-68,76-109,120-143,177-204,216-246,256-286',
to refine only flexible loop parts of my model
I'll be very thankful if someone have made simulation of any membrane
proteins using one of the gb models and could give me some suggestions
regarding most suitable gb model for this case.
James
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Received on Thu Jul 17 2014 - 00:30:02 PDT
