Dear all.
Could anybody tell me a good reference or an idea for a protocol to deal
with caps of water and Poisson-Boltzmann ?
I have read Biotin/Streptavidin tutorial, but as far as I have understood it
works with previous versions of amber,
not with amber8 ( it doesn't appear igb = 10).
My basic cuestion is how should I minimize the solvated complex before
molecular dynamics.
Is it better to freeze solute and minimize water separately or should I
directly minimize the entire complex?
Any idea would be appretiated.
Thanks in advance.
Obdulia Rabal
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Received on Tue May 18 2004 - 10:53:00 PDT
