[gmx-users] Counter ions added

Mark Abraham Mark.Abraham at anu.edu.au
Sun May 24 08:05:27 CEST 2009

Chih-Ying Lin wrote:
> Hi
> I search some papers based on MD.
> Most of them did not tell what the counter ions they added.
> Why?

They may have been implicit solvent MD where none are added, or their 
simulation system may have been neutral, or they may have used a model 
physics where a net charge is acceptable, or they may have done 
something wrong.

I don't think I've ever noticed a paper where the charge of a 
protein/peptide went undiscussed.


More information about the gromacs.org_gmx-users mailing list