[gmx-users] TIGER2 implementation in GROMACS

Mark Abraham mark.j.abraham at gmail.com
Tue Sep 23 14:49:39 CEST 2014


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... :-)


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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