[gmx-users] Values for pcon & ncon in G_mmpbsa

[Sarath Chandra]

Post this on g_mmpbsa forum https://groups.google.com/forum/#!forum/g_mmpbsa

Regards

Sarath

On 5 July 2016 at 08:57, Amali Guruge <amaligg2010 at gmail.com> wrote:

> Dear All,
>
> In my MD simulation I only added counter ions (20 Na+ ions) to neutralize
> the system. Now I want to do MM_PBSA calculations for my MD runs. In order
> to do perform polar solvation energy, I have to define parameters pcon and
> ncon.
> According to my system what values should be assigned to those two
> parameters? If I assign 0 (zero) value for both parameters, is it correct?
>
> I don't have clear solution for this problem. Please can anyone help me?
>
> Thank you in advance.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>