[gmx-users] The Warning: you should increase table-extension in your mdp file
chihying2008 at gmail.com
Fri Oct 3 19:55:29 CEST 2008
I put a +1 charge molecule in gas phase and run MD without adding the
And, I got the following warning:
Although I checked the manual, I don't know how to increase the Table-extension.
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.
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