[gmx-users] Tabulated potential - Problem

albitauro at virgilio.it albitauro at virgilio.it
Thu Sep 24 12:32:36 CEST 2009


I'm trying to carry out a CG simulation and I'm using
a tabulated potential for a bond stretching term.
My MD simulations stops immediately with the error message:

Program mdrun_mpi, VERSION 4.0.5
Source code file: bondfree.c, line: 1772

Fatal error:
A tabulated bond interaction table number 0 is out of the table range: r 23.678833, between table indices 12069 and 12070, table length 1020

This should mean that some distances are beyond table length (as reported in the manual) but this is
nonsense considering my input files and topology.

Do you have any suggestion?


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