Dear All,<br><br>I ran a POPC simuIation in gromacs 3.3.1 with the martini force field and it ran fine. But I am getting the following error when I run it in gromacs 4.0.4. It seems there is some problem with the way the topology is built, but I cannot find out what the problem is? <br>
<br><br clear="all"><br><br>A list of missing interactions:<br> G96Angle of 2395 missing 1<br><br>Molecule type 'POPC'<br>the first 10 missing interactions, except for exclusions:<br> G96Angle atoms 9 10 11 global 1933 1934 1935<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 5532 bonded interactions could not be calculated because some atoms involved moved further apart than<br>
the multi-body cut-off distance (1.2 nm) or the two-body cut-off distance (1.2 nm), see option -rdd, for pair<br>s and tabulated bonds also see option -ddcheck<br>-------------------------------------------------------<br>
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