AMBER Archive (2009)

Subject: Re: [AMBER] ptraj mask selection

From: Jianyin Shao (jyshao2004_at_gmail.com)
Date: Mon Jul 13 2009 - 14:02:03 CDT

On Mon, Jul 13, 2009 at 12:10 PM, case <case_at_biomaps.rutgers.edu> wrote:

> On Mon, Jul 13, 2009, Jianyin Shao wrote:
> > Hi Patrick,
> >
> > I think the numbering of residues could be different from that of your
> > original pdb file. You can use rdparm, a sister program of ptraj, to
> check
> > the mask selection.
> >
> > rdparm your_prmtop
> >
> > atoms :308-317, 321-331_at_CA
> ^^^^^^^^^^^^^^^^^^^^^
>
> I think you should/must avoid spaces in atom masks.
>
> ....dac
>
> Sorry, that's my bad. I just copied the text and pasted it. I should double
check to remove the space or use quotation marks, like

atoms ":308-317, 321-331_at_CA"

Thanks,

Jianyin
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