[gmx-users] How can I remove water and ion molecules

[Guillem Portella]

man grep

with special attention to -v option

bounus ball: it also works before em and md

Cheers


On Monday 25 September 2006 15:55, jahanshah ashkani wrote:
> Hi,
> How can I remove water and ion molecules from the pdb file after energy
> minimization and molecular dynamic simulation? Thank you very much.
>
> Sincerely yours,
>
>
> Jahanshah Ashkani,
> PhD student of Biotechnology & Genetics,
> University of the Western Cape,
> Biotechnology Department,
> Private Bag X17,
> 7735 Bellville,
> Cape Town,
> South Africa
> jashkani at mail.biotech.uwc.ac.za
>
> ---------------------------------
> Do you Yahoo!?
>  Everyone is raving about the  all-new Yahoo! Mail.

-- 
***************************************************************
 Guillem Portella 
 Computational biomolecular dynamics group at the 
 Max Planck Institute for Biophysical Chemistry 
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 D-37077 Goettingen -- Germany --
 phone: ++49-551-2012309 
 fax: ++49-551-2012302 
 Email: gportel at gwdg.de 
 webpage:http://www.mpibpc.mpg.de/groups/grubmueller/start/people/gportel/index.php 
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