Skip to main content
. Author manuscript; available in PMC: 2015 Mar 16.
Published in final edited form as: J Chem Theory Comput. 2013 Apr 9;9(4):2020–2034. doi: 10.1021/ct3010485

Table 2.

Optimized parameters for GB-Neck2 model.

Parameter Value Parameter Value Parameter Value
SH 1.426 α H 0.788 α N 0.503
SC 1.059 β H 0.799 β N 0.317
SN 0.734 γ H 0.437 γ N 0.193
SO 1.061 α C 0.734 α O 0.868
offset 0.195 β C 0.506 β O 0.877
Sneck 0.827 γ C 0.206 γ O 0.388