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.




Nathan Baker
Pacific Northwest National Laboratory
Tel:  +1-509-375-3997



From: Abusaud [mailto:abusaude@gmail.com]
Sent: Tuesday, June 12, 2012 1:43 PM
To: apbs-users@googlegroups.com
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