Hi,
On Tue, Jun 21, 2016 at 6:52 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com> wrote:
> And I generated following files:
>
>
> *pt-evecs.dat pt-hist.agr pt-mode1.mdcrd pt-mode2.mdcrd pt-mode3.mdcrd
> pt-modes.prmtop*
> I wonder, how can I see first 3 eigenvectors and calculate the %
> contribution of each of them..
The files pt-modeX.mdcrd contain projections of the average
coordinates along each of the first 3 eigenvectors. Use your favorite
visualization program to view the trajectory files. Use the topology
that matches your atom selection (pt-modes.prmtop). The total
contribution of each eigenvector can be obtained via the 'modes
eigenval' analysis command.
-Dan
>
> Thanks,
> Hirdesh
>
> **
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Tue Jun 21 2016 - 07:30:03 PDT
