VMD-L Mailing List

From: Francesco Iori (francesco.iori_at_gmail.com)
Date: Tue Oct 03 2006 - 11:36:54 CDT

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