[gmx-users] Computational Electrophysiology: how about implicit solvent?

[Vries, de, H.W.]

Dear all,


In the newest versions of GROMACS the computational electrophysiology
method (CompEL) is implemented through the swapping of solvent molecules
with ions, thus providing a constant transmembrane potential.

However, I am currently employing an implicit solvent model.

My question therefore is; is there still a way to implement this charge
imbalance protocol if there are no solvent molecules present? - The answer
might of course be a no-brainer(read: 'no'), but I was wondering whether
there is a workaround for this.


Thanks for your time!

Best,

Henry de Vries

-- 
Henry de Vries
Student Topmaster Nanoscience, ZIAM, Rijksuniversiteit Groningen
office: X5113.0129