[gmx-users] About EM Error (simulation exploding)

vidhya sankar scvsankar_agr at yahoo.com
Mon Jul 30 19:07:08 CEST 2012

Dear Justin, Thank you for your Previous Reply.
                     I have got the following Error in EM using steepest Descent method in   gromacs 

Warning: 1-4 interaction between 4728 and 4733 at distance 3.030 which is larger than the 1-4 table size 3.000 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

I know That my System  is exploding .I have checked that my ouput .gro file in VMD there is No error . in my system. Then What KInd of Physical Parameter  lead to  error
My box size is 

./editconf_d -f 1OG2O.gro   -o 1OG2Onewbox1.gro    -center 7.0 8.0 7.0  -box 14.0 16.0 14.0

my Em.mdp file as follows
integrator  = steep     
emtol       = 1000    
emstep      = 0.01     
constraints = none
nsteps      = 50000
nstlist     = 1        
ns_type     = grid     
rlist       = 2.0      
coulombtype = PME      
rcoulomb    = 2.0     
rvdw        = 2.0      
pbc         = xyz       

Is there is any contradiction. between box Size and .mdp parameters

I am sure There is No error in .top and .gro file
Then what could be the Source of error
Thanks in Advance
With Regards 


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