Re: AMBER: PDB from .rst?

From: Wei Zhang <>
Date: Thu, 20 Jul 2006 14:04:58 -0700


You can use ampdb or ptraj to do this

To use ampdb:

         ampdb -p < xxx.rst > xxx.pdb

To use ptraj:

        cat > << EOF
        trajin xxx.rst
        trajout xxx.pdb pdb


Good Luck!



Evan Kelly wrote:

> Hi Everyone,
> This is probably a simple question, but I am trying to create a .pdb
> file from the sander output of a simulation I've done. I have the
> original .pdb file, inpcrd file, prmtop file, and the outputted .rst
> file. Can anyone suggest how this can be done?
> Thanks!
> ----------------------------------
> Evan Kelly
> <>

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Received on Sun Jul 23 2006 - 06:07:08 PDT
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