[gmx-users] Re: Membrane Runs Crashing

Neha nshafique at wesleyan.edu
Thu Jun 27 02:39:47 CEST 2013

Hi everybody,

My runs keep crashing despite energy minimisation and fiddling around with
nstlist values. I have been looking in the Gromacs manual particularly the
interaction ranges in the domain decomposition section, which mentions that
simulations can stop with error messages about missing interactions and
atoms moving too far. It says the interaction between two and multi body
bonded (rmb) is set based on the initial configuration automatically. Is
there a way that I could see what Gromacs is using as those values after the
simulation crashes?

I am thinking of using -rdd to change that number and see whether the
simulation is more successful, although it will most likely be slower.

Please let me know where I can get that information! I am getting frustrated
with all these crashing runs.

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