I think the text below "Fatal error:" explains pretty clearly why this
interaction is missing.
Berk
Date: Fri, 25 Sep 2009 13:04:28 +0200
From: [email protected]
To: [email protected]
Subject: [gmx-users] martini simulation problem with unsaturated lipid
Hello
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
-----------------------------------
Maria
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