[gmx-users] 1-4 interaction between X and Y at distance 1.804 which is larger than 1-4 table size 1.800 nm.

Marcelo Silva jokler79 at hotmail.com
Mon Jan 17 23:54:26 CET 2011

I don't know if this could be the issue, but are you sure that after the 
energy minimization step you are using the .gro file you've obtained?

I'm telling you this because once I forgot to put it on the following 
nvt equilibration: grompp -f nvt.mdp -c *em.gro* -p topol.top -o nvt.tpr 
and I got the same error.

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