How is the density? I find that I have to equilibrate initial box from leap
with fairly strong pressure coupling to get the bubbles to disappear.
On Tue, May 7, 2019, 5:26 PM Piotr Fajer <pfajer.fsu.edu> wrote:
> Dear All,
>
> Is there a way to check/control for uniform distribution of water in a PBC
> box ? After running ccptraj’s autoimage anchor :1-100 the box visualized
> in VMD has a cavity extending all the way from the surface of a box to
> protein centered inside the box.
>
> Peter Fajer
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 07 2019 - 16:00:02 PDT
