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