Hi,
On Monday, September 17, 2012, Ganesh Kamath wrote:
>
> I also get a bunch of NAN in the mwcovar.dat matrix. However covariance
> matrix, distance matrix and correl
> are generated correctly.
This indicates that for some reason the masses are not being read in
correctly from your psf file. Have you tried cpptraj? Do you get the same
result?
Please send me off-list your psf and 1 or 2 frames of your dcd so I can try
to reproduce the error. Thanks!
-Dan
>
> Can anyone please help.
>
> thanks,
> ganesh
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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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Received on Mon Sep 17 2012 - 16:00:02 PDT
