molecular non-uniform distribution

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1

Dear all,

I made a simulation of 5 molecules in OPLS-AA force field.

The initial condition is like this

nbcfdijhcihofjdc.png

jlpajaikieedebkl.png

2

You molecules clustered together (adding periodic images makes it easier to see). Rather expected behaviour for aromatics.

Regards

Tatiana Kuznetsova
Department of Physics and Technology
UiB, Norway