From: Giovanni Bellesia (giovanni.bellesia_at_ucd.ie)
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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Hi,
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
Giovanni
-- World Year of Physics 2005 http://www.physics2005.org/ http://www.wyp2005.org/ -- ======================================== Giovanni Bellesia Theory and Computation Group Department of Chemistry University College Dublin Belfield, Dublin 4, Ireland E-Mail Address: Giovanni.Bellesia_at_ucd.ie Tel: +353-1-716-2450 ========================================
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