Re: [AMBER] Radii in prmtop

From: Jesper Sørensen <>
Date: Sun, 29 Apr 2012 11:19:41 -0700

Hi Dave,

Thanks for the answer, that clears some things up.
I am still not clear on which radii PBSA uses, because if you set radiopt=0, does it then use the "RADII" or the radii based on the A and B coefficients?

Maybe others know this answer too?


On Apr 28, 2012, at 7:25 PM, case wrote:

>> What does PBSA do when you supply it with a prmtop file? Use the vdW
>> radii or the "intrinsic electrostatic radii" (unless of course you ask
>> it for TYL06 radii).
> Depends on the radiopt parameter; when radiopt=0, it uses whatever radii are in
> the prmtop file.

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Received on Sun Apr 29 2012 - 11:30:03 PDT
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