Lipid bilayer tears apart during simulation

From: Peterson J (
Date: Fri Jun 14 2013 - 15:14:02 CDT

Hi all,

I am currently simulating a membrane protein homology model embedded in
lipid bilayer and performed simulated annealing and lipid melting steps
successfully. But when the system is subjected under equilibration
simulation (NVT) with constraints only on protein Ca atoms, I see the lipid
bilayer tearing apart.
What are the possible solution to solve this?



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