Dear Dr. Daniel,
Please suggest if cpptraj/ptraj can help in this regard.
thanks,
On Sat, Aug 18, 2012 at 4:27 AM, 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,
>
> --
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> *regards;
> Vishal Maingi*
> *Dendrimer Builder Toolkit (DBT)*
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>
>
--
*****
*regards;
Vishal Maingi*
*Dendrimer Builder Toolkit (DBT)*
\I/
>-|-<
/I\*
*
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Received on Tue Aug 21 2012 - 02:30:04 PDT
