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From: Daniel Roe <daniel.r.roe.gmail.com>

Date: Mon, 29 Jun 2020 11:31:40 -0400

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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*

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*

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*

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Received on Mon Jun 29 2020 - 09:00:02 PDT

Date: Mon, 29 Jun 2020 11:31:40 -0400

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:

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Received on Mon Jun 29 2020 - 09:00:02 PDT

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