[gmx-users] Implicit solvent improvement in Gromacs 5.1.2

Hai Nguyen nhai.qn at gmail.com
Wed Nov 9 16:53:29 CET 2016


On Tue, Nov 8, 2016 at 6:46 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> There's been no active work since 4.5 and no plans I've heard of. I hear
> AMBER is pretty good at it on GPUs :-)
>
>
Since Mark mentioned AMBER, just FYI for @Christian: AMBER have new and
more accurate model (GB-Neck2) too.

Hai


> Mark
>
> On Wed, Nov 9, 2016 at 12:04 AM Christian Bope Domilongo <
> christianbope at aims.ac.za> wrote:
>
> > Dear all,
> >
> > There is any improvement of GB implicit solvent in Gromacs package 5.1.2?
> >
> > Regards,
> > --
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