Thread: Re: [apbs-users] The Maximum EP around the ssDNA
Biomolecular electrostatics software
Brought to you by:
sobolevnrm
From: Baker, N. <Nat...@pn...> - 2012-06-15 01:08:14
|
Hello – At 77 volts, that’s more than the (low-voltage) battery on a Toyota Prius or a Nissan Leaf! Congratulations, you’ve likely encountered one of the limitations of continuum solvation models. High electric field values or high electric potential values such as these are generally attributable to the assumptions in the underlying Poisson-Boltzmann model: linear and local dielectric models, lack of solvent granularity, and point ions with mean field response. In summary, while this is a valid result for the PB equation, it’s unlikely to be a realistic value. Thanks, __________________________________________________ Nathan Baker Pacific Northwest National Laboratory Tel: +1-509-375-3997 http://nabaker.me<http://nabaker.me/> From: Abusaud [mailto:abu...@gm...] Sent: Tuesday, June 12, 2012 1:43 PM To: apb...@go... Subject: [apbs-users] The Maximum EP around the ssDNA Hi All, I got the max absolute value for the Electrostatic Potential around the ssDNA more than 3000 KT/e. Is that possible and valid? Thank you Mohammed |