Hello all,
I was trying to implement a replica of the GB model corresponding to igb=1
(HCT with modifications by Tsui & Case). I was able to do so but got hung up
on the parameterization for a bit.
In the user manual it is stated that igb=1 is implemented "with parameters
described by Tsui and Case". In the relevant
paper<
http://www.ncbi.nlm.nih.gov/pubmed/11754341>,
the offset parameter, with a default value of 0.09A, is adjusted to 0.13A.
However, as near as I can tell, the actual implementation corresponding to
igb=1 retains the default value of 0.09A. If this is indeed the case, I feel
this might be a distinction worth making in the manual.
Best,
Christoph Klein
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Received on Tue Jun 21 2011 - 11:30:03 PDT
