Hi Matías,
Thank you for your reply!
Despite your "no", your reply was useful anyway! thank you!
Best regards,
Antonio
On Sun, Aug 5, 2018 at 10:31 PM, Matias Machado <mmachado.pasteur.edu.uy>
wrote:
> Dear Antonio,
>
> The answer is no... you have to calculate the right number of ions yourself
>
> The complete list of available options for each command is described in
> the manual or can be accessed by typing "help command_name" at leap console.
>
> Best,
>
> Matías
>
> ------------------------------------
> PhD.
> Researcher at Biomolecular Simulations Lab.
> Institut Pasteur de Montevideo | Uruguay
> [http://pasteur.uy/en/laboratorios-eng/lsbm]
> [http://www.sirahff.com]
>
> ----- Mensaje original -----
> De: "Antonio Amber Carlesso" <antonio.amber.carlesso.gmail.com>
> Para: amber.ambermd.org
> Enviados: Domingo, 5 de Agosto 2018 12:56:50
> Asunto: [AMBER] counterions_automatic
>
> Hi all,
>
> In tleap, Is there any flag that I can add to this line code to reach a
> final concentration of 0.154 M by adding Na+/Cl- counterions?
>
>
>
> addions2 mol NA 0
>
>
>
> thank you!
>
>
>
> Antonio
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Received on Tue Aug 07 2018 - 08:00:03 PDT
