[gmx-users] bilayer simulation crashes after 2 ns or 7 ns of stable runs. why does system explode
mariagoranovic at gmail.com
Fri Apr 4 16:52:21 CEST 2008
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.
Technical University of Denmark
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