AMBER Archive (2007)

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

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 16 2007 - 00:23:30 CST

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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