Re: AMBER: question about Ptraj - AND OR

From: Thomas E. Cheatham, III <cheatham.chpc.utah.edu>
Date: Mon, 12 Jul 2004 09:15:13 -0600 (Mountain Daylight Time)

> Using the mask in ptraj (from the Amber 8 distribution), how do you, for
> example, select .CA,C,N AND :10-80
>
> I tried
>
> rms reference out rms_test .CA,C,N,:10-80
....
> which is not what i want. I would like the N, CA, and C atoms of
> residues 10-80 and nothing else.

Just flip it around

  :10-80.C,CA,N

good luck.



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Received on Mon Jul 12 2004 - 16:53:00 PDT
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