Thank you Jason.
'''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
*Md Homaidur Rahman*
PhD Research Scholar
Computational Biophysics Lab.
Department of Biotechnology
Indian Institute of Technology-Madras
Chennai-600 036
*Mobile No = +91- 7845991785*
'''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
On Mon, Dec 29, 2014 at 10:01 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 29 2014 - 12:00:02 PST
