[gmx-users] Remove the water from the crystal structure of Protein in PDB file

Mark Abraham Mark.Abraham at anu.edu.au
Fri Apr 3 05:36:11 CEST 2009

Chih-Ying Lin wrote:
> Hi
> The protein is in the crystal structure.
> So, the PDB file includes some water molecules.
> Could I just remove those water molecules??

Some kinds of waters, yes. It sounds like you should go and do some 
tutorial material - because this sort of issue gets treated in those.


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