I built a POPE:POPG bilayer in 3:1 ratio.
Simplify. Start with pure POPE and pure POPG first.
When I am minimizing the bilayer, bonds in head groups are breaking
in POPE and POPG lipid molecules.
Your topologies are incorrect. Start with a simple test system: a
single POPE in vaccuum.
w
Dear gmx users,
I downloaded POPE.itp and lipid.itp files from Dr.Tieleman
website http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies
and POPG.itp file from Dr.Mikko Karttunen wesite
http://www.apmaths.uwo.ca/~mkarttu/downloads.shtml.
I built a POPE:POP
2 matches
Mail list logo
