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General discussions (Q&As) / Use of Ensemble function

« on: February 19, 2017, 03:47:21 pm »

Hello,

So I am trying to use x3dna_ensemble analyze and have a folder with multiple .pdb structures.  Whenever this command
is run the error message beneath it pops up

x3dna_ensemble analyze -b bp_order.dat -p 'HJH/100*.pdb' -o 100mM_ensemble.out

Not a duplex: <1>

what does this mean and how to fix it? The pdb structures were generated from a single pdb with multiple frames in VMD and bp_order.dat was the output from the find_pair function.

Thanks,
-Clark