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#37689 - 11/08/19 05:15 AM How to fix angle with two atoms and one plane in CHARMM.
sohyeon Offline
Forum Member

Registered: 08/21/19
Posts: 9
Dear all.
I want to fix angle of the two atoms and one plane by using mmfp or others but I don't know how to do.

For example,
plane : z = 2
type : atomA
type : atomB
atomA and atomB are in the same resname(molecule).

I want to fix the ANGLE(plane - atomA - atomB) = 180.

Thank you very much.


Edited by sohyeon (11/08/19 05:16 AM)

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#37692 - 11/12/19 11:20 AM Re: How to fix angle with two atoms and one plane in CHARMM. [Re: sohyeon]
rmv Offline

Forum Member

Registered: 09/17/03
Posts: 8389
Loc: 39 03 48 N, 77 06 54 W
It is not clear exactly what you are trying to do (or why).
_________________________
Rick Venable
computational chemist


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