On Tue, Jun 21, 2011, Christoph Klein wrote:
>
> 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.
I have added a note to this effect to the manual...thanks...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 23 2011 - 14:00:03 PDT