The potential energy of what exactly? The energy of bringing the atoms
together to form a single DMSO molecule? If so then MD isn't appropriate
for this type of calculation...
On 24/12/13 00:33, virk wrote:
Dear Users,
I am try to simulate DMSO molecules. I am getting potential energy
On 19/12/13 23:31, Justin Lemkul wrote:
On 12/19/13 6:14 PM, rdwducl wrote:
Thanks for the reply Justin but I'm confused. Why must the atoms be
bonded?
Ultimately I plan to model micellisation whereby surfactants, which only
interact with each other via non-bonded terms, are driven to
