AMBER Archive (2004)

Subject: Re: AMBER: question about Ptraj - AND OR

From: Thomas E. Cheatham, III (cheatham_at_chpc.utah.edu)
Date: Mon Jul 12 2004 - 10:15:13 CDT

> 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_at_C,CA,N

good luck.

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