Hi,
Sorry for the delay in replying to this.
On Thu, Jun 30, 2022 at 12:47 PM Damiano Spadoni via AMBER
<amber.ambermd.org> wrote:
>
> radial out OutputFileName.dat 0.1 15 :EL_ResidueMask :P_ResidueMask noimage volume center1 center2
I think maybe what you wanted to do here was 'bymol1' or 'byres1' etc.
The 'center1' and 'center2' keywords calculate the RDF from the center
of *everything* in the corresponding mask. So all you are doing here
is binning the distance between the center of mass of everything
selected by :EL_ResidueMask and the center of everything selected by
:P_ResidueMask. Try changing to 'bymol1' and 'bymol2'.
Hope this helps,
-Dan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 04 2022 - 13:35:25 PDT
