[gmx-users] Membrane Simulation

[Giuseppe]

Dear all
 
I'm trying to start a simulation with a protein embedded in a bilayer of
POPC molecules, but I have some problems when I pack the lipids around the
protein. Infact I place the protein in the proper position using the
editconf tool with the “-rotate” and “-center” options on, but when I scale
the lipid positions with the perl script (before the energy minimization),
the protein moves up, de facto off from the membrane! Obviously I've set
very strong position-restraining force on protein, but it moves the same.
Probably the problem is trivial, but I can't see it, so any help is much
appreciated.
 
Thanks a lot,
 
GIuseppe Cimicata



--
View this message in context: http://gromacs.5086.x6.nabble.com/Membrane-Simulation-tp5007421.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.