[gmx-users] K+ ions instead of NA+ for neutralization

Johnny Lu johnny.lu128 at gmail.com
Sun Sep 13 09:50:53 CEST 2015

Hi. I'm new to simulation and haven't tried that. Below is what I heard.

Most of the time, the force field just treat K+ and Na+ as a sphere with
charge and with no orbitals.
So, K+ and Na+ ions in simulations are only different in radius (of the

I guess it is ok to use K+ instead of Na+.

What forcefield did you use?

On Sun, Sep 13, 2015 at 3:10 AM, Andrew Bostick <andrew.bostick1 at gmail.com>

> Dear gromacs users,
> For neutralizing the simulation system, can I use K+ ions instead of NA+?
> Best,
> Andrew
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