[gmx-users] fatal error when using Martini CG force field

lammps lammps lammp2forum at gmail.com
Fri Jun 12 04:27:35 CEST 2009

When I use CG martini force field to do simulation, and use the example of
Martini website.

There are many warnings when grompp the mdp file:
WARNING 4 [file mem16.top, line 41]:
  For proper thermostat integration tau_t (0.1) should be more than an
  order of magnitude larger than delta_t (0.02)

After running long time, a fatal error appears:
Fatal error:
1 of the 13956 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance (1.2
nm) or the two-body cut-off distance (1.2 nm), see option -rdd, for pairs
and tabulated bonds also see option -ddcheck

What does it matter?

Thanks in advance

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