Re: changing file

From: Giovanni Bellesia (
Date: Wed Jul 20 2005 - 04:57:29 CDT

Deborah Jameson wrote:

> Hi
> I wanted to change the binary coor file to pdb file to use it for
> another simulation and I used command bincoordinates mentioned in
> mailing list but it did not work.
> does anybody know how to change binary file to pdb file ?
> would you please mention all necessary procedure to do so.
> Thanks in advanced
> Deb
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you actually don't need to change your restart binary file to a pdb file,
you should only leave both the commands "coordinates" and
"bincoordinates" active in your config file

see the command "bincoordinates" at page 20 of the user's guide

P.S. if you still want to generate a pdb file you can use vmd ... a
simple way to do it is
to load your psf file first and then your restart binary file (same
molecule ID ) and then save the coordinates
in pdb format


World Year of Physics 2005
Giovanni Bellesia
Theory and Computation Group
Department of Chemistry
University College Dublin
Belfield, Dublin 4, Ireland
E-Mail Address:
Tel:    +353-1-716-2450

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