I have some questions:
1) Are they any review papers about those solvation models, I mean, such as gborn, asp,...?
2) I am a little bit confused about the gborn parameter set, I am using c29b2, what is the parameter set for protein ? And why sometimes, people setup new radii for the polar hydrogen atoms? What is the ground rule for doing this? i.e.
scalar wmain = radii
define polarH select property radii .le. 0.5 end
scalar wmain set 0.8 select polarH end
GBorn P1 0.4153 P2 0.2388 P3 1.7488 P4 10.4991 P5 1.1 Lambda 0.7591 Epsilon 80.0 Weight
Can anybody please show me, a newbie any tips?
Thanks in advance!
Last edited by cao; 11/10/03 09:22 PM.