AMBER Archive (2009)
Subject: Re: [AMBER] ptraj mask selection
From: case (case_at_biomaps.rutgers.edu)
Date: Mon Jul 13 2009 - 13:10:46 CDT
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.
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