> Can amber6.0 do the implicit sovation model?
>
> If it can, what tools in amber6.0 can i use?
AMBER 6 is capable of doing implicit solvation simulations using the
generalized Born model (with or without the surface area term). In the
&cntrl section of sander, set igb=1 (and ntb=0) to run generalized Born
simulations. If you want to include the non-polar (surface area) term,
set gbsa=1. See Tsui & Case, JACS 122, 2489, 2000 for some descriptions
of applications and performance.
vickie
The Scripps Research Institute
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Received on Sun Sep 17 2000 - 23:36:35 PDT
