On Tue, Jul 27, 2010, Keith Van Nostrand wrote:
>
> Because of correlation in the data, I had started using ig = -1 as well. I am
> doing Langevin dynamics with Amber 10 pmemd, and my output shows ig = -1
> everywhere:
As far as I can tell from a quick code check, the special handling of ig=-1
in pmemd did not occur until Amber11. If anyone has more detailed info, they
can post it here.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 27 2010 - 12:30:04 PDT
