[gmx-users] Different potential function combination

[Hongyan Xiao]

Hi, all gmx-users,
 
I am simulating the surfactant on the liquid/liquid interface. After reading 
a lot of paper, I predefine the different potential function forms for these 
three parts (surfactant, water, CCl4). For water model, I used the SPC 
model; for CCl4, I used the function form from gromo96; for surfactant, the 
bond stretching and angle bending potentials are harmonic, and proper 
dihedrals potential is from Fourier function. I want to know whether the 
different potential functions combined are suitable? That is to say, is it 
the rule on the different potential functions combined? I hope for your 
help. Thanks a lot!
 
H. Y. Xiao     

 
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