AMBER Archive (2007)

Subject: Re: AMBER: Understading of mdcrd file and pdb file..

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Sun Nov 18 2007 - 23:27:19 CST


Yes sir,
I have done that.
By the way it is not the same.
It is now arranged in the same sequence.

My question is,
will that arrange in sequence or in other arrangement?

Need your advice sir.

Thank you.

Vijay
--- "David A. Case" <case_at_scripps.edu> wrote:

> On Fri, Nov 16, 2007, Vijay Manickam Achari wrote:
> >
> > >From MD coordinate file, xxxx.mdcrd, I have
> generated
> > xxxx.pdb files using ptraj program.
> >
>
> > The question is, how the X,Y,Z coordinates from
> pdb
> > file written in coordinate file? I dont understand
> the
> > sequence how the coordinates are arranged in mdcrd
> > file and pdb file.
>
> Are they not arranged in the same order in both
> files? You should be able to
> verify this by just editing the mdcrd and pdb files
> side-by-side and looking
> at the coordinates.
>
> ....dac
>
>
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