[gmx-users] Salt concentration

[Gonçalo C. Justino]

Hi Anthony,

You can use the '-conc' tag from genion during file preparation, as per
http://manual.gromacs.org/current/online/genion.html.

Gonçalo


On 27 September 2010 15:32, Anthony Cruz Balberdi <anthony.cruz5 at upr.edu>wrote:

> Dear Users:
> I am interested in perform a simulation of a protein in different salt
> concentrations. How I can calculate how much Na+ and Cl- ions to
> include in the simulation to achieve certain concentration? Could
> someone point me in the right direction? Is there a software to do
> this type of calculations?
>
> Thanks in advance.
>
> Anthony
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