Hi,
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.
-Dan
On Mon, Dec 18, 2017 at 11:44 PM, Leena Aggarwal <leena.hrc.gmail.com> 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
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Dec 19 2017 - 06:30:03 PST
