Re: AMBER: trajectory file

From: Rhonda Torres <torres.scripps.edu>
Date: Mon, 29 Mar 2004 10:03:03 -0800

Hi Joseph,

In addition to Andy's comment, you can also list more than one file on a
line which works fine in carnal. Your problem was the ";" and the second
STREAM. The 80 characters is per line. I.e.:

FILES_IN
  PARM p1 p1.top;
  STREAM s1 a.pdb b.pdb c.pdb d.pdb e.pdb f.pdb
            g.pdb h.pdb i.pdb j.pdb k.pdb l.pdb;
FILES_OUT
  COORD c1 s1;

etc.


Rhonda

On Mon, 29 Mar 2004, Joseph Nachman wrote:

> Since I have about 50 PDB files, it makes the statement STREAM longer than
> the 80 characters Carnal accepts. I wonder if something like that would
> work:
>
> FILES_IN
> PARM p1 p1.top;
> STREAM s1 a.pdb b.pdb c.pdb;
> STREAM s2 d.pdb e.pdb f.pdb;
> FILES_OUT
> COORD c1 abcdef.crd;
> DECLARE
> COORD c1 s1 s2;
> END
>
> Thanks,
>
> Joseph
>

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Received on Mon Mar 29 2004 - 19:53:00 PST
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