[gmx-users] How to construct 1-4 interaction tables for -tablep in mdrun?
shonytolengo at gmail.com
Fri May 4 15:30:43 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? What to put in these columns?
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
nrexcl = 3
gen-pairs = no
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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