[gmx-developers] The development of a new implementation of Rahman Parrinello.

[Berk Hess]

ramon at juguete.quim.ucm.es wrote:

>Hello,
>
>I have heard that a new implementation of the Rahman Parrinello code
>is under development. All I know is that it uses a verlet velocity
>integrator.
>
>Is this implementation based in any reference in the bibliography?
>
>  
>
This will come, the exact algorithm has not been decided yet.

>Would also include a reversible move for the Nose Hoover thermostat?
>  
>
Gromacs 3.3 contains a reversible Nose Hoover leap-frog integrator.

Berk.