[gmx-users] TIGER2 implementation in GROMACS

[João Henriques]

Ok, I see what you mean. Thanks anyway.

Best regards,
João

On Tue, Sep 23, 2014 at 1:49 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> I don't know of anyone with such plans. It wouldn't be hard for the right
> person, but that goes for dozens of things such a person could do... :-)
>
> Mark
>
> On Tue, Sep 23, 2014 at 1:46 PM, João Henriques <
> joao.henriques.32353 at gmail.com> wrote:
>
> > Dear all,
> >
> > Short and fast: I'm interested in using/testing the TIGER2*** method,
> > currently implemented in NAMD, but I'm what you would call a "GROMACS
> > person". Are there any plans to implement it for GROMACS in the near
> > future? Is this something that has been discussed among the developers at
> > some point?
> >
> > This might come in handy for quite a few other people besides me, thus my
> > inquiry.
> >
> > *** Citing the paper: "TIGER2 is a next-generation REMD method that
> offers
> > more efficient sampling compared to the original REMD method by reducing
> > the number of replicas required to span a given temperature range." DOI:
> > 10.1016/j.cpc.2010.09.011
> >
> > Best regards,
> > João
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