If this is a question about being able to tune to factor that scales 1:4
interactions (5/6 for vdW, 1/2 for electrostatics in the AMBER force
fields) then the answer for mdgx is "yes." From the beginning, this factor
has been specifiable by the user. However, if you're referring to some
form of pair-specific scaling that places different factors for different
dihedral interactions, the answer is "no." Wouldn't be too hard to
implement, though, if that is something that people really want to
explore...
Dave
> On Tue, Apr 05, 2011, Jason Swails wrote:
>>
>> Just a quick question -- does NAB have the variable 1-4 scaling added to
>> sander/pmemd?
>
> I'm pretty sure the answer is "no"; same question is now appropriate for
> mdgx
> as well....sigh
>
> ...dac
>
>
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Received on Wed Apr 06 2011 - 10:30:02 PDT
