AMBER Archive (2004)

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

From: Herr/Seņor/Monsieur/Mister Gregory (ejgregory_at_gmail.com)
Date: Mon Jul 12 2004 - 11:15:47 CDT

Try this James:

strip :1-9
strip :81-999999
rms reference out rms_test @CA,C,N

Hope it helps,

~Elijah Gregory

On 12 Jul 2004 16:06:59 +0100, james tomomi macdonald
<j.macdonald_at_mail.cryst.bbk.ac.uk> wrote:
> Hi,
>
> 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
>
> however that selects:
>
> ACTIONS
> 1> RMS to reference structure (./pdbs/bb2n_500K.pdb.2874) using no
> mass weighting
> Dumping RMSd vs. time (with time interval 1.00) to a file named
> rms_test
> Atom selection follows :1-9_at_N,CA,C,:10-80,:81-89,N,CA,C
>
>
> which is not what i want. I would like the N, CA, and C atoms of
> residues 10-80 and nothing else.
>
> I apologise if this is in the manual, but i couldn't find it.
>
> Cheers,
>
> James.
>
>
>
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