AMBER Archive (2004)

Subject: AMBER: distance-aromatic ring

From: John (john.dalmaris_at_imperial.ac.uk)
Date: Thu Feb 19 2004 - 05:03:56 CST

Hello all,

 

 

I would like to study the interaction between the aromatic ring and an amine
proton. So I would like to follow the changes in distance between the proton
and the centre of the ring. I also want to follow the change along the
trajectory of the angle between the ring normal and the vector joining the
proton to the ring centre. Is it possible to directly extract these values
from Carnal? Is there any way to define the centre of the aromatic ring in
carnal? If not can I calculate the parameters illustrated in the diagram
below?

                        

 


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