[gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode

[maria goranovic]

Dear All

I am running a 128-lipid bilayer simulation with standard parameters. The
simulation abruptly crashed after 2 ns, and a look into the pdb files
suggested that bonds were being broken and eventually the lipids explode. I
tried increasing the cutoffs from 1.0 to 1.4, and this time also, the
simulation exploded, but at a different time point.

The energy remains nice and stable till the explosion.

How does one fix this ? What is planting these bombs ?

Thank you for suggestions.

-- 
Maria G.
Technical University of Denmark
Copenhagen
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