[gmx-users] system is exploding!!!!!
asaxena17 at yahoo.com
Mon Jul 10 21:24:28 CEST 2006
Hello Gmx users
I have recently upgraded to gromacs3.3. I was running
an MD simulation of a protein-ion complex immersed in
water, on gromacs3.2 before and it worked fine. Later
I rerun the same simulation on gromacs 3.3 but with
different starting velocity. I am getting this error
Warning: 1-4 interaction between 1271 and 1277 at
distance 2.846 which is larger than the 1-4 table size
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
I found online that many people are facing similar
kind of problem but I am not sure of the solution.
Kindly let me know.
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