[gmx-users] gmx potential

Shreyas Kaptan shreyaskaptan at gmail.com
Wed Mar 21 19:42:56 CET 2018

Dear GMX users,

I am trying to use the gmx potential tool to calculate the potential
created by applying a constant electric field in the Z-direction.

I am using the 2018 gromacs version. The electric field was applied with:

electric-field-z         = 0.00625 0 0 0; 0.1 V voltage for 160 angstrom Z

When I use the gmx potential (from 2016.1 version) on the result of the
simulation, I get the attached output.  I am not sure how to interpret the
result. I expected a 100 V potential drop across the box, but I do not see
that. Is that an error on part of my interpretation or is there something
wrong with my setup?

Thanks in advance!


Shreyas Sanjay Kaptan

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