Re: [AMBER] how to center on ligand?

From: Jason Swails <>
Date: Wed, 29 Jul 2015 12:05:50 -0400

On Wed, Jul 29, 2015 at 11:50 AM, Albert <> wrote:

> Thank you for the kind comments.
> I've got a further question: is it possible for us to know how X,Y,Z was
> translated after I move the ligand to [0,0,0]?

Sure. Look at the two coordinate files and take the difference between the
positions of the first atom in each file.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed Jul 29 2015 - 09:30:02 PDT
Custom Search