[gmx-users] Remove water from membrane protein

Alex alexbioinfo at yahoo.com
Sat Nov 12 11:46:23 CET 2011


Dear all,
I've inserted a protein in a DPPC layer and then I've solvated (after 
modifying vdwradii.dat to avoid putting waters in wrong places).
How can I check and eventually remove waters still being in wrong places?
I've tried to load it in PdbViewer and in rasmol, but is veruy difficult to 
distinguish waters in bilayer cavities.
I'd like some practical suggestion.

Thanks in advance




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