AMBER Archive (2004)

Subject: Re: AMBER: question about ptraj's Mask

From: Kun Song (cmmpimento_at_yahoo.com)
Date: Thu Oct 28 2004 - 16:10:34 CDT

Thanks. It works.
This really should be the first combination I try.

--- Viktor Hornak <hornak_at_csb.sunysb.edu> wrote:

>
> Try :90-100,130-150_at_CA ...
>
> -Viktor
>
> Kun Song wrote:
> > Dear all,
> > I am trying to use ptraj to calculate the rmsd.
> Now
> > the problem is, I cannot find a way to use mask to
> > define two pieces which are not next to each
> other. I
> > have a system which has 200 residues. I want to
> > calculate the rmsd by fitting the alpha C of
> residues
> > :90-100 and alpha C of residues :130-150. I read
> the
> > manual but it doesn't say how to do things like
> this.
> > Thanks.
> > Best regards!
> > ken
> >
> >
> >
> > __________________________________
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