I am to Equilibrate a uniformly distributed spc water molecules at 300k in 50x50x50 box. Water density is taken to be 1000kg/m3. Simulate the system in the NVT ensemble. The spc water is modeled using the CLAYFF force field.

*** in my calculations of numbers water molecules for the box I had 4177 molecules.***

Out of the equilibrated spc water molecules above, create a half-sphere of radius 26A to depict water droplets. And this water droplet has 946 spc water molecules.

My challenge is to create the water droplets

  • 1
    $\begingroup$ Take a look here, similar quation. $\endgroup$
    – Camps
    Commented Sep 5, 2023 at 16:55


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