The lambda values in TI scale the potential of interaction of the particles
with the limits (generally 0 and 1) denoting the particle having no
interaction with the system and the particle fully interacting with the
system.
Tom
On Thu, Sep 27, 2018 at 7:42 AM David Case <david.case.rutgers.edu> wrote:
> On Tue, Sep 25, 2018, Kepa K. Burusco wrote:
>
> > 1) Did I understand right if say that during annihilation/decoupling the
> > masses and kinetic energies of appearing/dissapearing atoms are scaled
> > according to the lambda value?
>
> I'm probably not the best person to respond here. But I'm pretty sure
> nothing
> like this is done in Amber. Having masses tend towards zero would cause
> problems with MD integrators.
>
> ...dac
>
>
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Tom Kurtzman, Ph.D.
Associate Professor
Department of Chemistry
Lehman College, CUNY
250 Bedford Park Blvd. West
Bronx, New York 10468
718-960-8832
http://www.lehman.edu/faculty/tkurtzman/
<http://www.lehman.edu/faculty/tkurtzman/index.html>
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Received on Thu Sep 27 2018 - 06:00:02 PDT
