Dear Sir/Madam,
I could like to do use ptraj to study the rmsd of a MD simulation but include only residues 100-200 and 400-500 of a system with 600 residues.
I used the command line as follows:
rms first out rms
100-200.CA, 400-500.N1'
However, the error message about not recognized appears. Could you pls kindly instruct what command line should be used?
Best regards,
Cat
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Received on Mon Jul 06 2009 - 10:54:17 PDT
