On Thu, Apr 20, 2017, Xiaoliu Zhang wrote:
>
> I checked 25Å * 25Å * 25Å box, and it didn't show any error when running NPT.
> Is there any method to run NPT for such a small box(15Å * 15Å * 15Å)?
Basically, no. As you saw, Amber requires that the cutoff be less than half
the box size. Boxes of around 20 Å on a side are about the smallest ones
we can handle.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 20 2017 - 10:00:02 PDT
