AMBER: SURFTEN/SURFOFF values in amber9

From: <ferranna.unimo.it>
Date: Sat, 14 Oct 2006 09:27:42 +0200

Dear all,
> I found in the amber9 manual that default values of SURFTEN
> and SURFOFF are 0.0072 and 0, respectively, regardless of
> the use of PBSA or GBSA.
> In the literature, these values are often used:
> amber PBSA: suften=0.00542, surfoff=0.92
> amber GBSA : surften=0.0072, surfoff=0
>
> Which values should be considered as "correct" ?
> Thanks in advance
>


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Received on Sun Oct 15 2006 - 06:07:15 PDT
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