[gmx-users] How to build 1-4 pairs tables for -tablep in mdrun?

Marcelo Lopez shonytolengo at gmail.com
Sat May 5 15:39:06 CEST 2012

Hi, all, I'm still confused about how to set up 1-4 interaction tables
for tabulated non-bonding potentials when using the -tablep option in
The specific question is:

How must I specify the 1-4 interaction in those tables? How many
columns and with what?
My primary goal is to set all the 1-4 interactions equal to zero. I
have some 1-4 pairs that aren't involved in dihedrals, that means that
setting up

nrexcl = 3


gen-pairs = no

isn't enough

Please, someone help me to understand. If you don't have the time,
just copy/paste a table.
Thank you very much.

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