VMD-L Mailing List

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Tue Oct 03 2006 - 15:05:17 CDT

Dear Francesco,
at room temperature (298K) 1 kT/e ~ 25 mV.

Francesco Iori escribió:
> 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
>