You didn't tell us what the problem was; only that there *was* a problem (in
the subject of this email). There's no way we can diagnose a problem we
know nothing about.
This script should create a PDB file 2b5e.new.pdb.1, .2, .3, etc. It won't
create a file with that exact name -- it'll have numbers appended to it.
Good luck,
Jason
On Mon, Apr 11, 2011 at 9:20 AM, <moitrayee.mbu.iisc.ernet.in> wrote:
> Dear Amber Users,
>
> I am trying to write pdb files from CRD using the trajout command in Amber.
>
> The script is as follows:
>
> #!/bin/sh
>
> /soft/amber11/AmberTools/exe/ptraj 2b5e.prm.top << EOF
>
> trajin /media/USB_flash/PDI/CRD/2b5e.min1.crd
> trajin /media/USB_flash/PDI/CRD/2b5e.0000_0010.crd
> trajin /media/USB_flash/PDI/CRD/2b5e.0010_0020.crd
> trajin /media/USB_flash/PDI/CRD/2b5e.0020_0030.crd
> trajin /media/USB_flash/PDI/CRD/2b5e.0030_0040.crd
>
> trajout /media/USB_flash/PDI/PDB/2b5e.new.pdb PDB
>
> strip :WAT
>
> go
>
>
>
>
>
> --
> This message has been scanned for viruses and
> dangerous content by MailScanner, and is
> believed to be clean.
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Apr 11 2011 - 10:00:03 PDT
