VMD-L Mailing List

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Tue Oct 03 2006 - 14:47:35 CDT

kT/e = Boltzman's constant * 300 Kelvin / 1 electronic charge

These are the units used by APBS, so I assume it's somewhat standard. It
also relates nicely to thermal fluctuations and ion charges.

-Jim

On Tue, 3 Oct 2006, Francesco Iori wrote:

> dear VME users
> I apologize if my question sounds silly but i am trying to track down
> the units in which the .dx output of a PME calculation with vmd is
> expressed:
> at the beginning of every file .dx the foppowing line is present:
> # PME potential (kT/e, T=300K)
> but i have to admit that it is not very helpful. In addition, from the
> page describing the PME plugin i followed the link to the article
> descibing the method: in that article the potential values are
> expressed in V which i interpret as Volt. Is this the unit in which
> the PME provides the output?
> thank you for your help
> Francesco Iori
>