[gmx-users] martini simulation problem with unsaturated lipid

maria goranovic mariagoranovic at gmail.com
Fri Sep 25 13:04:28 CEST 2009


I get this error while running Martini:

A list of missing interactions:
            G96Angle of   1280 missing      1

Molecule type 'DUPC'
the first 10 missing interactions, except for exclusions:
            G96Angle atoms    3    5    6      global   135   137   138

Does this mean that some terms are reallly missing?

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

Fatal error:
1 of the 4040 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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