mark.j.abraham at gmail.com
Thu May 29 09:47:53 CEST 2014
There's no support in genion for that.
Is there data to show that the concentration profile of ions varies with
potential at the relevant concentration and distance scales?
On Thu, May 29, 2014 at 9:04 AM, Atila Petrosian <atila.petrosian at gmail.com>
> Dear all
> I do not like to replace solvent molecules with Na ions randomly.
> I like to do that based on potential.
> Which option is needed in the end of following line (.....) ?
> genion -s *.tpr -o *.gro -p *.top -pname Na -pq +1 -np 5 .....
> Best wishes
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