How to keep Total Energy constant when an external force is added?

From: Fred (Rui FENG) (
Date: Wed Oct 22 2008 - 22:48:43 CDT

Hi all,

I'm trying to add an external force on all atoms to move them. The
force field among them is just Lennord Jones. They are accelerated,
but I need to keep their velocity constant. I cannot just use
"RescaleTemp" to keep the kinetic energy constant. Because if I do
that, the total energy will increase. I think what I really need to do
is to keep total energy (both VDW energy and kinetic energy) constant.
That equals drawing out the work that the external force made. Could
you tell me what parameters are in charge of that function? Thank you
so much!

Have a nice day!


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