I use the gmx4.04 version. <br><br>The detail error information is as follows. May be there is a bug in domain decompostion method because someone met this problem beforce.<br><br>--------------------------------<br>Not all bonded interactions have been properly assigned to the domain decomposition cells<br>
<br>A list of missing interactions:<br> G96Angle of 3704 missing 1<br><br>Molecule type 'DEN'<br>the first 10 missing interactions, except for exclusions:<br> G96Angle atoms 62 129 130 global 5162 5229 5230<br>
<br>-------------------------------------------------------<br>Program mdrun_mpi, VERSION 4.0.4<br>Source code file: domdec_top.c, line: 341<br><br>Fatal error:<br>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<br>
--------------------------------------------<br><br clear="all"><br>-- <br>wende<br>