Dear AMBER users,
I have done a 10 ns simulation for a DNA system containing 20
residues. When I tried to do clustering using ptraj with the input
given below,
trajin ../prod1.mdcrd 5001 10000
cluster out testcluster representive pdb \
average pdb averagelinkage clusters 5 rms .P,O3',O5',C3',C4',C5'
i got the following error
PTRAJ: Processing input from file cluster.ptraj
PTRAJ: trajin ../prod1.mdcrd 5001 10000
Checking coordinates: ../prod1.mdcrd
Rank: 0 Atoms: 13067 FrameSize: 317554 TitleSize: 81 NumBox: 3
Seekable 1
PTRAJ: cluster out testcluster representive pdb average pdb
averagelinkage clusters 5 rms .P
MASK = representive
ERROR in tokenize(): wrong syntax
Anyone can help me?
Thanks
Rajesh
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Received on Fri Oct 07 2011 - 12:30:04 PDT
