Re: Implementing decaying potential (non-linear potential)

From: Giacomo Fiorin (
Date: Thu Jan 28 2021 - 14:20:55 CST

Hi Nagendra, GridForces has the ability among others to apply a voltage
that depends on the position in space.

You'll need to create an OpenDX file for your potential for your decaying
voltage. One way that I used for this was a Python script that uses the
gridData module packaged with MDAnalysis. There are certainly other


On Thu, Jan 28, 2021 at 3:16 PM Athreya, Nagendra Bala Murali <> wrote:

> Hi,
> I am trying to simulate a system where screening of potential can be
> observed in the system. Briefly, I would like to see a decaying potential
> applied along z-direction in a system containing some salt solution. The
> voltage is applied from +Z to -Z-axis. When I implement eField in the NAMD
> script, it applies a constant uniform electric field along z-direction.
> However, there is no exponential decay in the potential as one would
> observe in experimental setup.
> How would one go about imposing a decaying potential in the system?
> I would appreciate any help I can get (papers, links, etc..).
> Thank you,
> Nagendra

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