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
On Tue, 16 Mar 2004, Bill Ross wrote:
> > I'd like to make pseudo-trajectory file from a number of pdb or
> > coordinate/restart files. Is there a way to do that by using either Ptraj
> > or Carnal?
>
> In carnal, put your pdb files in a STREAM and point it at
> a COORD (default is mdcrd format). Adapting the simple
> initial example in the carnal manual:
>
> FILES_IN
> PARM p1 ketop;
> STREAM s1 a.pdb b.pdb c.pdb;
> FILES_OUT
> COORD c1 abc.crd;
> DECLARE
> OUTPUT
> COORD c1 s1;
> END
>
> Bill
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--
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Joseph Nachman Department of Biochemistry
nachman.hera.med.utoronto.ca University of Toronto
Medical Sciences Building
tel: +1 416 978-5510 Toronto, Ontario M5S 1A8
fax: +1 416 978-8548 Canada
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Received on Mon Mar 29 2004 - 17:53:01 PST
