[gmx-users] How can I check external electric field was applied?

이연경 koki0724 at naver.com
Fri Feb 23 17:55:47 CET 2018

Dear Gromacs users,

I’m testing a simple system that has one sodium ion and one chloide ion to check external electric field.
( Apply strong field along z axis, so I added the line of E_z = 1 10 0 to .mdp file. )

After a short simulation, I used ‘gmx potential’ to check the field.

But the result graphs of potential.xvg and field.xvg were different from my expectation.

Although I applied 10v/nm along z axis, the electrostatic potential and electric field was not around 10V.

Does ‘gmx potential’ calculate electric field and electrostatic potential including external force I applied, or just a system’s?

If ‘gmx potential’ does not calculate including external forces, is there any method to check external field was correctly applied?

Thanks for your time :)

 YK Lee

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