Dear all, I am trying to create tmao box.Energy minimization, simulated annealing (Cooling under high pressure and again heating at normal pressure) as well as final equilibration ran smoothly. But finally I got a box where all water molecules got accumulated in two three small region within the box and tmao molecules in another small regions.I wanted near random uniform distribution of tmao in water. Perhaps the box didn't get equilibrated properly. Any help from user, where I am wrong and what should I do. NIDHI
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