Hi,
I am using the OPLSAA forcefield to simulate a system consisting of a
solvated nanotube and
a polymer. While I am using the OPLSAA forcefield to treat polymer-polymer
and polymer-water interactions, the water-nanotube LJ pair interactions, and
the nanotube bonding interactions
need to be treated differently from the standardOPLSA combination rules. I
tried to put these in explicitly in the [nonbond_params] section of the
topology file, but these values seem to be overriden by the combination-rule
specified OPLSAA values. How can I accomplish this? Thanks!
Regards,
Goran Krilov
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