[gmx-developers] The development of a new implementation of Rahman Parrinello.
hessb at mpip-mainz.mpg.de
Fri Oct 7 08:34:24 CEST 2005
ramon at juguete.quim.ucm.es wrote:
>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
>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.
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