[gmx-users] Re: gmx-users Digest, Vol 17, Issue 30
taweehui at yahoo.com
Fri Sep 9 13:39:01 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
Click here to donate to the Hurricane Katrina relief effort.
More information about the gromacs.org_gmx-users