Electric field setting problem

User discussions
1

GROMACS version: 2020.6
GROMACS modification: No
cos electric fields of different phases are added in the x and y directions respectively:
electric-field-x = 1.273 0.15707963 10 0
electric-field-y = 1.273 0.15707963 0 0
but the phase of simulation results is the same, which is consistent with the following setting:
electric-field-x = 1.273 0.15707963 10 0
electric-field-y = 1.273 0.15707963 10 0
Why?

2

That’s probably because when sigma = 0, t0 must be set to 0. If I want to modify this situation, what file and where is the GROMACS code for the electric field?

3

Hi!

You are right; historically, “sigma = 0” is a special case, and newer versions of GROMACS should have thrown an error with your original configuration.

Here’s the source code: src/gromacs/applied_forces/electricfield.cpp · main · GROMACS / GROMACS · GitLab

4

Thanks