[gmx-users] Gradient electric field in GMX?
xieyh at hkusua.hku.hk
Sun Apr 9 06:33:27 CEST 2006
Dear Dr. David:
> Dear Gmxers:
> Is it possible to apply a gradient electric field in GMX, which is a
> function of space? For example, field strength
> in the left side of simulation box is set to zero, which gradually
> changes to 1 V/nm in the right edge of box.
> If yes, how to compile the source code? Thanks.
> You can do periodic fields. Your version would have a discontinuous
> field at the box edge. Is that really what you want?
Sorry, I forget the stuff of PBC. Take another example, field strength increases from 0 V/nm in the
left side of box to 1 V/nm in the middle part of box, and then decreases to 0V/nm in the right edge. How
to realize it?
What is your mean of periodic fields? As described in source code, we can definie an electric field, which is
varied as time. But at any specific time, field strength in the whole system should be the same, right?
What I want to get is electric field is not uniform at any time, which is different at different position in the system.
Thanks and regards,
Hong Kong University
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