Just to piggyback on what Dave suggested, you can calculate the vector
perpendicular to a plane defined by a set of atoms using 'vector
corrplane' - see the manual for full details.
-Dan
On Sun, Jun 28, 2020 at 3:33 PM David A Case <david.case.rutgers.edu> wrote:
>
> On Sun, Jun 28, 2020, xmgign.126.com wrote:
>
> >I want to calculate the angle between two planes. The two planes do not
> >share any atoms. Therefore, it is necessary to define two planes through
> >6 atoms. Is there a method in Ambertools that can do such calculations?
>
> The formulas you need are all given here (and in many other places, of
> course):
>
> https://en.wikipedia.org/wiki/Plane_(geometry)
>
> See esp. section 2.8, for the angle between two planes.
>
> You can use various commands in cpptraj to do this, which might be useful
> if you need to compute this angle for many different sets of coordinates.
> See the vectormath capability in cpptraj: if you have two vectors in the
> first plane, the cross-product with give you the normal to that plane;
> ditto for second plane. Then the "dotangle" function will give you the
> angle you want (or 180 - the angle you want--you need to take care with
> how the cross products are computed if there are no atoms in common
> between the two planes.)
>
> ...good luck....dac
>
>
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Received on Mon Jun 29 2020 - 09:00:02 PDT
