Hi Amir,

 

Are you sure you're giving the parameters indeed as C_6 and C_{12}? 

According to the combination rule in the [ defaults ] section, you may
be giving the two parameters directly as sigma and epsilon; sigma=0 (as
well as epsilon=0) would give an identically zero potential . See
sections 5.3.3 and 5.7.1 in the manual (version 4.0).

 

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