[gmx-users] Implicit solvation: nonpolar term?

rdwducl robert.darkins.11 at ucl.ac.uk
Fri Dec 20 00:15:01 CET 2013


Thanks for the reply Justin but I'm confused. Why must the atoms be bonded?

Ultimately I plan to model micellisation whereby surfactants, which only
interact with each other via non-bonded terms, are driven to aggregate by
this nonpolar term...


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