I have to quickie questions. I can not tell how to solve these issues
from the manual :(
a) Can I save the final configuration on PDB format after a sander
simulation?. How?.
If you tell me I have to save the
b) I want to simulate a protein in water, but would like to combine
implicit/explicit method. should I try to put constrains in the
waters so these dont swim away from the surface of the protein?. ( I
need to see if a water enters a cavity).
Is it reasonable to mix explitic/implicit this way?
I'd appreciate any feedback I can get.
Thank you!
Eduardo
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Received on Sun Sep 16 2007 - 06:07:44 PDT
