Thanks ..
On Wed, Aug 22, 2012 at 2:30 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> 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
> (801) 585-9119 (Fax)
>
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--
*****
*regards;
Vishal Maingi*
*Dendrimer Builder Toolkit (DBT)*
\I/
>-|-<
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*
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Received on Wed Aug 22 2012 - 00:30:03 PDT
