[gmx-users] Re: gmx-users Digest, Vol 17, Issue 30

taveechai taveecharoenkool taweehui at yahoo.com
Fri Sep 9 13:40:03 CEST 2005

 may i correct my question?  my question is how to put
K ion in the pore of hexameric proteins in popc
bilayers and perform energy minimization to have K ion
in local minimum without getting the result that
bilayer seperated and water came into the middle,
proteins seperated and went to the corners. i
equilibrate the system for 5 ns, next step i want to
study the free energy difference between ion in the
pore and without ion in the pore.
appreciate for helps 

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