[gmx-users] Qmmm (rose rahmani) (Rose)

[rose rahmani]

Thank you so much.

On Mon, 6 Aug 2018, 23:50 Groenhof, Gerrit, <ggroenh at gwdg.de> wrote:

>
> I live in iran and we don't access to Gaussian.
> You think DFTB3 (maybe)could be better choice as it's free?
>
> As I wrote earlier, that depends on whether DFTB3 provides a sufficiently
> accurate description for your system. To find that out you need to either
> perform a series of benchmarks, or go through the literature in which the
> methods has been used successfully for similar systems.
>
> --
> 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.
>