The distance command takes two masks and will calculate the distance
between their centers of mass (or geometry), so e.g.
distance d21 :glc.O1,O2,O3,O4,O5,O6 <mask2> out d21.dat
See the manual for full details.
-Dan
On Thu, Mar 23, 2017 at 3:41 AM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear List,
>
> I am calculating the center/centroid of ring atoms using the vector command
>
> vector v21 center :glc.O1,O2,O3,O4,O5,O6 out v21.dat
>
> The output file consists of x y z and the origin coordinates.
>
> How can I measure the distance command in cpptraj to measure distance from
> centroid (v21.dat) to another atom of an amino acid?
>
> --
> Regards,
> Dr. Neha S. Gandhi,
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
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 Thu Mar 23 2017 - 05:30:03 PDT
