[gmx-users] Qmmm (rose rahmani) (Rose)
rose.rhmn93 at gmail.com
Mon Aug 6 21:56:57 CEST 2018
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.
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