Hi,
If you are talking about cpptraj, this has been discussed on the list
previously: http://archive.ambermd.org/201312/0240.html
For ptraj, the full matrix is written as a 1D array in row-major order
using floats, e.g. for 3x3 Matrix M(row, column):
M(0,0) M(0,1) M(0,2) M(1,0) M(1,1) ...
and so on.
Hope this helps,
-Dan
On Mon, Mar 3, 2014 at 5:15 AM, Elisa Frezza <elisa.frezza.gmail.com> wrote:
> Hi!
>
> I would like to ask you how can I read and open the file PairwiseDistance
> file after clustering analysis.
> Thank you in advance
>
> Elisa
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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) 585-6208 (Fax)
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Received on Mon Mar 03 2014 - 08:00:03 PST
