[gmx-users] Simulated Annealing

Mark Abraham mark.j.abraham at gmail.com
Sun Feb 10 10:59:16 CET 2019


Use the final configuration to start a new annealing calculation. As there
is no real ensemble to preserve, there is nothing to manage.

Mark

On Sat., 9 Feb. 2019, 10:48 Shan Jayasinghe, <shanjayasinghe2011 at gmail.com>
wrote:

> Dear Gromacs Users,
>
> How do we extend a simulated annealing?
>
> Thank you.
>
> Best Regards
> Shan Jayasinghe
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