On Tue, Sep 18, 2012, 이상민 wrote:
>
> And what is the reason for the different Default of nmode of Amber11
> and Ambertools? Especially why the default value of dielectric
> constant(dielc) is 4.0 ?
Ancient history: nmode was written in the late 1970's, long before implicit
solvent models like GB were available. I'm still hoping that we can retire it
by the time of the next release.
...dac
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Received on Thu Sep 20 2012 - 06:00:01 PDT
