|
From: | Markus Deserno |
Subject: | Re: [ESPResSo-users] Bjerrum Length for Explicit Solvent |
Date: | Sat, 5 Oct 2013 12:20:50 -0400 |
Jezreel, the Bjerrum length is the distance at which two unit charges experience an electrostatic interaction energy equal to the thermal energy. For water, this is about 7 Angstrom, independent of whether the solvent is treated explicitly or implicitly. It would be rather unphysical if this physical quantity depended on the way you implement a solvent in your computer program. It is rather the other way around: Whatever you do to your computer model, you must make sure that physical parameters are reproduced, and the Bjerrum length is one such. Best, Markus Deserno -- Dr. Markus Deserno ++1-412-268-4401 (office)
Associate Professor of Physics ++1-412-681-0648 (fax) Carnegie Mellon University ++1-412-268-8367 (Amanda Bodnar) 5000 Forbes Avenue www.cmu.edu/biolphys/deserno/ Pittsburgh, PA 15213, USA address@hidden On Oct 5, 2013, at 12:11 PM, Jezreel Castillo <address@hidden> wrote:
|
[Prev in Thread] | Current Thread | [Next in Thread] |