You can use ptraj, with the pdb file as the trajin and the trajout in CRD
format (obviously a restart from a pdb doesn't have velocities).
Best Regards
Stefano Pieraccini
----- Original Message -----
From: "khn _" <khnb3.yahoo.com>
To: <amber.scripps.edu>
Sent: Tuesday, January 16, 2007 11:50 AM
Subject: AMBER: convert pdb files to restart files
>
>
> hi all
>
> is there anyway that AMBER could convert pdb files to
> restart files without having to use the tleap
> program?
>
> i have thousands of pdb files and it would be nice to
> have a command like ambpdb.
>
> thank you
>
>
>
>
>
>
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Received on Wed Jan 17 2007 - 06:08:18 PST
