[gmx-users] How can I remove water and ion molecules
Mark.Abraham at anu.edu.au
Mon Sep 25 17:37:43 CEST 2006
jahanshah ashkani wrote:
> How can I remove water and ion molecules from the pdb file after energy
> minimization and molecular dynamic simulation?
From a pdb file is easy - just get a text editor and delete those
lines. Never mind about the atom or residue numbering.
Is this the question you meant to ask?
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