On Mon, Dec 29, 2014 at 12:40 AM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
wrote:
> Dear Amber Users
>
> I am simulating the system of Ionic Liquids (ILs) with varying
> concentration of ILs. In pure system (only ILs), I am getting total energy
> positive. As we add the water in the system the total energy becoming
> negative. The value are mention below. I am using choline Lactate as Ionic
> Liquids.
>
> pure Choline Lactate +1807.48
> 0.5% Choline Lactate +1366.43
> 1.0% Choline Lactate + 905.64
>
> Others system are negative.
> It is possible that the total energy of the system is positive or I am
> doing wrong simulation.
>
Yes it is possible.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Dec 29 2014 - 09:00:02 PST
