AMBER Archive (2006)

Subject: Re: AMBER: PDB from .rst?

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Thu Jul 20 2006 - 16:08:20 CDT

Hi,

Use ambpdb to create the .pdb files.

Example:

# ambpdb -p prmtop <md.rst> md.pdb

This will create an md.pdb file using the md.rst coordinate file and
prmtop topology file.

Best,

On Thu, 20 Jul 2006, 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
>
>
> 

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
  - University of Rochester      -				-
  - Hutchison Hall, # B10        -				-
  - Rochester, NY 14627-0216     - Ph.:(585) 275 67 66 (Office)	-
  - http://www.pas.rochester.edu/~yildirim/			-
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