AMBER Archive (2006)

Subject: Re: AMBER: PDB from .rst?

From: Wei Zhang (zweig_at_scripps.edu)
Date: Thu Jul 20 2006 - 16:04:58 CDT

Hi,

You can use ampdb or ptraj to do this

To use ampdb:

         ampdb -p xxx.top < xxx.rst > xxx.pdb

To use ptraj:

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

         ptraj xxx.top pdb.in

Good Luck!

Sincerely,

Wei
   

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
> ebkelly_at_ualberta.ca <mailto:ebkelly_at_ualberta.ca>
>
>

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