[AMBER] regarding hierarchical clustering

From: jani vinod <genomejani.gmail.com>
Date: Mon, 22 Nov 2010 13:52:02 +0530

Dear all,
I have trajectory with more than 1 lakh frames and i wish to do hierarchical
clustering for same
*$AMBERHOME/exe/ptraj x.prmtop <<EOF
trajin x.traj
cluster out testcluster representative pdb average pdb hierarchical epsilon
2 rms .CA
when i run the above script i am getting following error

*The first pass through the trajectory is complete.
Error in AllocateSymmetricMatrix, Size (133592) of SymmetricMatrix is too
big. Please limit the size to be less than 32768.*

So where to put the above mentioned limit
and is it possible to carry out clustering based on all frames if the above
limit is given.

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Received on Mon Nov 22 2010 - 00:30:04 PST
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