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

[jahanshah ashkani]

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
 		
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