AMBER Archive (2006)

Subject: Re: AMBER: ambpdb -pqr

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Tue Nov 28 2006 - 15:02:39 CST

Try

ambpdb -pqr -p myfile.prmtop < myfile.inpcrd > newfile.pqr

Best,

On Tue, 28 Nov 2006, Seth Lilavivat wrote:

> Dear Amber Community,
>
> I am attempting to write a PQR file by using the -pqr flag on ambpdb. However,
> when I offer the command I receive an error:
>
> ambpdb -pqr myfile.prmtop < myfile.inpcrd > newfile.pqr
>
> When I open up "newfile.pqr" it says, "Unknown flag myfile.prmtop".
>
> Thanks for everyone's help,
> SETH
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-- 
  Ilyas Yildirim
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