Hi,
Its possible you could get this information with the 'vector' keyword:
vector <mask1> <mask2> out vec.dat
this will output a file "vec.dat" with 10 columns:
frame vx vy vz cx cy cz cx+vx cy+vy cz+vz
Where v denotes the magnitudes of the vector components and c denotes
the origins of the vector components.
-Dan
On Fri, Aug 17, 2012 at 4:57 PM, Vishal Maingi
<maingi.ambquery.gmail.com> wrote:
> Dear All,
>
> Is it possible to know the coordinates of center of mass of masked residues
> for each frame over a trajectory? I need the perpendicular distance, for
> which I want to use Z coordinate only of COM, between two masked residues
> COMs.
>
> I was not able to find (or I missed it) such inbuilt functionality with
> ptraj or cpptraj / may be source c files need to be played with to print
> values?
>
> thanks,
>
> --
> *****
> *regards;
> Vishal Maingi*
> *Dendrimer Builder Toolkit (DBT)*
> \I/
>>-|-<
> /I\*
> *
> *http://www.physics.iisc.ernet.in/~maiti/dbt/home.html*
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Tue Aug 21 2012 - 14:30:03 PDT
