On Thu, Feb 18, 2010, Dian Jiao wrote:
> Thank you, David. I did use PMEMD and it was NVT so density was fixed.
>
> I changed the safety from 1.25 to 10.25 and it works, but what does this
> "safety" do? Does making it bigger slow down the simulation?
It just decides how many interactions to allocate space for. I was thinking
you might try a change from 1.25 to maybe 2 or something, but even a bigger
number should not slow down the calculation.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 18 2010 - 15:00:02 PST
