[gmx-users] freeze water

Anthony Cruz acb15885 at uprm.edu
Fri Apr 28 21:51:13 CEST 2006

I want to make a simulation of a small pepetide in a box of water but I want 
to freeze or restrain the movement of all water molecules that have a 
distance grater that 3 A from the protein surface.  Right know the water that 
are within 3 A of the protein, have a different residue name (SHL) and the 
other water molecules have the normal resname (SOL)  How I could do the 



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