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
go*
"
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.
Thanks
VJ
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Received on Mon Nov 22 2010 - 00:30:04 PST
