[gmx-users] How to remove charge of 5e-2 ??

Mark Abraham Mark.Abraham at anu.edu.au
Tue Apr 5 15:43:19 CEST 2011


On 5/04/2011 11:17 PM, Hyunsik wrote:
> Dear experts,
>
> Hi,
>
> When prepare a system, the system had +5.5. So I add 5 CL- ion to neutralize.
>
> But as you know, the Cl charge is -1 and there still is 5e-2. how can i remove that.

Your statements are inconsistent. If you had 5.5 charge and added five 
chloride ions, you could not end up with 0.05.

Mark



More information about the gromacs.org_gmx-users mailing list