On Fri, Apr 15, 2005, Thomas E. Cheatham, III wrote:
>
> right now for free energy perturbation (icfe=1), but that is a high
> priority of mine, since that will be key in further testing the extent
^^^^^^^^^^
> to which this idea can replace PME. Some other combinations of
parameters
> ^^^^^^^^
>
> I think you might have just given Tom Darden a heart-attack :-)
I think the real key words are the ones underlined above....dac
Received on Wed Apr 05 2006 - 23:49:58 PDT
