[gmx-users] freeze water
Anthony Cruz
acb15885 at uprm.edu
Fri Apr 28 21:51:13 CEST 2006
Hi:
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
restrain???
Thanks.
Anthony
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