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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