Tutorial-l Mailing List

From: Jenni Carvajal (jenni.carvajal85_at_gmail.com)
Date: Sun Mar 14 2010 - 18:45:30 CDT

Hi to all,

I was trying to reproduce some of the calculations of ion transport in
nanopores under the effect of Electric field. I have seen that even after
1ns of NVT simulation, when applying the electric field, the TOTAL energy of
the system increases. Does anybody know why is this happening ? if the
system is equilibrated isn't this energy have to be fluctuating around a
constant value?

Thanks for your help and thoughts !

Jennifer C.
Graduate Student

**
** Visit http://www.greatcircle.com/majordomo/ for more info on majordomo
**