Catherine
You have to put : befor the residue number.
rms first out rms :100-200.CA, :400-500.N1'
germain
Catein Catherine a écrit :
> 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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Germain Vallverdu
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Received on Mon Jul 06 2009 - 10:54:21 PDT
