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
_______________________________________________
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
