AMBER Archive (2003)

Subject: Re: format of 'mask' in ptraj

From: Jose Ramon Blas (jramon_at_ub222059.pcb.ub.es)
Date: Mon Mar 24 2003 - 10:14:33 CST

Hi,
a very good explanation of mask sintaxis is in the manual: (1st subsection
of ptraj's explanation)
AMBER7--> page 197
AMBER6--> page 281

Well, an atom is indicated by an @ and a residue by a : ,but in the manual
explains this much better.

Hope this helps,

Blas

---------------------------------------------------------------------------
Jose R. Blas
Molecular Modelling & Bioinformatics e-mail: jramon_at_mmb.pcb.ub.es
IRBB, Parc Cientific de Barcelona phone: + 34 93 403 71 55
C/Josep Samitier 1-5,
08028 Barcelona

On Sun, 23 Mar 2003, Jiyoung Heo wrote:

> Dear all,
>
> Can I define one specific atom as a 'mask' in ptraj? In that case, what
> is the format of 'mask'?
> I saw the certain residue ranges or residue name like WAT defined as a
> mask in several examples, but could not find any example using an atom
> as a mask.
> Thanks.
>
> -Jiyoung
>
>
>