Yes indeed - that functionality was folded into the very next Amber release.
-Dan
On Wed, Jul 5, 2017 at 9:06 AM, Qinghua Liao <scorpio.liao.gmail.com> wrote:
> Hello everyone,
>
> Recently, I read the papers about doing Hamiltonian replica exchange
> with accelerated MD simulations:
>
> http://pubs.acs.org/doi/pdf/10.1021/jp4125099
>
> In the paper, the simulations were performed with a developmental
> version of Amber 12, as the boost potential
> was added to the system potential, in order to calculate the exchange
> rate between neighboring replicas properly.
>
> Is this feature available in Amber16? Thanks very much!
>
>
> All the best,
> Qinghua
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 05 2017 - 07:00:03 PDT
