[gmx-users] The Warning: you should increase table-extension in your mdp file

[Chih-Ying Lin]

Hi
I put a +1 charge molecule in gas phase and run MD without adding the
Counter ions.
And, I got the following warning:
Although I checked the manual, I don't know how to increase the Table-extension.
Thank you
Lin




Warning: 1-4 interaction between 12 and 19 at distance 1.469 which is
larger than the 1-4 table size 1.000 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


table-extension: (1) [nm]
Extension of the non-bonded potential lookup tables beyond the largest
cut-off distance. The value should be large enough to account for
charge group sizes and the diffusion between neighbor-list updates.
This value also specifies the length of the lookup tables for the 1-4
interactions, which are always tabulated irrespective of the use of
tables for the non-bonded interactions.