Thanks, I got confused by some old mailing list material!
On Thu, Jul 5, 2018 at 2:42 PM David A Case <david.case.rutgers.edu> wrote:
> On Wed, Jul 04, 2018, Elisa Pieri wrote:
> >
> > I would like to add a citation in my text to reference the integration
> > algorithm that Amber uses (leapfrogish if I understand correctly). Any
> help?
>
> The scheme is velocity Verlet. The Wikipedia article on "Verlet
> integration"
> is a good place to start.
>
> Note the most Amber simulations use a thermostate, bond-length constraints,
> and perhaps a barostat. This makes the actual integration procedure both
> more
> complex, and more difficult to describe.
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 05 2018 - 06:00:07 PDT
