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

lammps lammps lammp2forum at gmail.com
Fri Jun 12 04:46:04 CEST 2009

I use the gmx4.04 version.

The detail error information is as follows. May be there is a bug in domain
decompostion method because someone met this problem beforce.

Not all bonded interactions have been properly assigned to the domain
decomposition cells

A list of missing interactions:
            G96Angle of   3704 missing      1

Molecule type 'DEN'
the first 10 missing interactions, except for exclusions:
            G96Angle atoms   62  129  130      global  5162  5229  5230

Program mdrun_mpi, VERSION 4.0.4
Source code file: domdec_top.c, line: 341

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

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