[gmx-users] Meaning of Table Size

Lara Bunte lara.bunte at yahoo.de
Mon Sep 24 17:40:23 CEST 2012


What exactly is the table size? grompp gives me this warnin:

Warning: 1-4 interaction between 1 and 5 at distance 2.751 which is larger than the 1-4 table size 2.500 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

In this context what is table-extension?

Thanks for helping me

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