On Mon, Jul 13, 2009 at 12:10 PM, case <case.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.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.CA"
Thanks,
Jianyin
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Received on Mon Jul 13 2009 - 18:08:07 PDT
