[gmx-users] Salt concentration

[Anthony Cruz Balberdi]

Thank you Gonçalo and Dallas for your help.

Best Regards

Anthony

2010/9/27 Gonçalo C. Justino <goncalo.justino at gmail.com>:
> 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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