Re: [AMBER] box coordinates of the trajectory

From: Daniel Roe <>
Date: Tue, 19 Dec 2017 09:19:43 -0500


You can use 'vector box' from cpptraj, e.g.:

vector box out box.dat

If your goal is to calculate grid density you can also use the
'boxref' keyword of the 'grid' command to create a grid from the unit
cell parameters of a reference structure (works with non-orthogonal
cells as well). See the manual for full details.


On Mon, Dec 18, 2017 at 11:44 PM, Leena Aggarwal <> wrote:
> Dear Amber Users
> I need the box coordinates of the trajectory. Can anyone help me out from
> where I get the box coordinates. I need the box coordinates as I want to
> create a three dimensional grid of the box.
> Thanks
> _______________________________________________
> AMBER mailing list

Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
AMBER mailing list
Received on Tue Dec 19 2017 - 06:30:03 PST
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