On Sun, Sep 20, 2009, Jeff Yeo wrote:
>
> I intended to calculate the alpha-carbon RMSD of my unrestrained MD
> run. I run ptraj with the following file named "md2.calc_rms":
> trajin md2.mdcrd
> rms first mass .CA
> out md2.rms
> time 1
> image
> strip :WAT
All the arguments to the rms command need to be on a single line.
...dac
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Received on Sun Sep 20 2009 - 06:30:05 PDT
