On 13/08/10 18:30, Alexandre Suman de Araujo wrote:
I am just curious but... why are you doing actually all of this
instead of using a normal periodic solvent box?
The idea is to have less water molecules and, consequently, faster
simulations.
I thought about that, but I guessed you can use a non-cubical box to do
(roughly) the same. It seems a nice idea, at a glance.
cheers,
m.
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