[gmx-users] mdrun error

supti mukherjee suptimukherjee at gmail.com
Wed Feb 25 08:19:58 CET 2009

Dear all,
I am doing a protein simulation for 20ns in single processor machine. after
11.1ns when I am trying to rerun mdrun its coming out with the following
Inner product between old and new vector <= 0.0!
constraint #0 atoms 1 and 2
Warning: 1-4 interaction between 1 and 7 at distance inf which is larger
than the 1-4 table size 2.400 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
or with user tables increase the table size
MPI process rank 0 (n0, p20175) caught a SIGSEGV.
Can anybody please give me some clue to solve this?
Thanks in advance
Supti Mukhopadhyay
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