[gmx-users] Lennrd-Jones potential in Gromos force field

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Wed Jun 13 12:33:42 CEST 2018

​Hi all
I've simulated interaction of functionalized carbon nanotubes with drug with Gromos 54a7 force field, by gmx energy module and defining enegy grps I obtained LJ-SR , short range Lennad-jones potential between drug and CNT, in my system there are different interavtions, polar-polar, nonpolar-nonpolar, vdw,...
I have a question, what does interaction include in LJ option in gmx energy module, (polar, nonpolar,vdw..) ?
I think LJ equation is a equation with some parts, such as: attarction, repulsion, polar and..., Does Gromos consider polarity in LJ equation or it has only attraction and repulsion, 
if it has attraction and repulsion what can I call the output from gmx energy, can I call it vdw,?
what focefiald can consider polarity?
any suggestion will be appreciated

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