Hi,
What do you mean with dielectric-r?
In your mdp file epsilon_r should always be one.
If you use PME with epsilon_surface=0, then in g_dipoles
epsilonRF should also be 0 (infinity).
Berk.
> Date: Fri, 15 Aug 2008 00:31:02 +0530
> From: [EMAIL PROTECTED]
> To: [email protected]
> Subject: [gmx-users] Dielectric constant
>
> Dear Users,
>
> Thanks Hess for your reply. However i have one
> question still in mind. Suppose I am simulating a electro-osmotic
> channel flow and the system is water. I will try to calculate the
> dielectric constant. What value of dielectric-r should i take. Should
> it be 80 or 1?
> Please help me.
>
>
>
> --
> Avinash Kumar.
> 4th year undergraduate,
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