Hi Seth,
I guess, you forgot the -p option:
ambpdb -pqr -p myfile.prmtop < myfile.inpcrd > newfile.pqr
Good luck,
Harianto.
On Tue, 2006-11-28 at 15:52 -0500, 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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Received on Wed Nov 29 2006 - 06:07:52 PST
