Question: Find the largest portion of empty space (i.e. void) within a random particle 2D box. Calculate and visualize the probability density function of the largest
Find the largest portion of empty space (i.e. void) within a random particle 2D box. Calculate and visualize the probability density function of the largest void in the system as a function of its size.(PYTHON)
ce submit a Jupyter Notebook addressing the following workflow: Step 1: Build a 2D square box (edge length = 2 nm) containing a random arrangement of particles, each separated by a minimum distance of 0.24 nm. Step 2: Calculate the g(r) of the configuration built in Step 1, without normalising it with respect to che ideal gas. Step 3: Build a number of configurations (such as the one built in Step 1) sufficient to converge the g(r) of the system to an acceptable degree of accuracy. Compute the g(r) of the system and comment on why do you think yo, have generated enough configurations. Step 4: Making use of Markdown Cells, discuss the main differences between the hydration of small and large hydrophobic solutes according to this paper. List (and comment on) the main approximations involved with the theory of hydrophobic interactions illustrated in the same paper. Step 5: Find the largest portion of empty space (i.e. void) within each of the configurations you have generated in Step 3. Calculate and visualize the probability density function of the largest void in the system as a function of its size. ce submit a Jupyter Notebook addressing the following workflow: Step 1: Build a 2D square box (edge length = 2 nm) containing a random arrangement of particles, each separated by a minimum distance of 0.24 nm. Step 2: Calculate the g(r) of the configuration built in Step 1, without normalising it with respect to che ideal gas. Step 3: Build a number of configurations (such as the one built in Step 1) sufficient to converge the g(r) of the system to an acceptable degree of accuracy. Compute the g(r) of the system and comment on why do you think yo, have generated enough configurations. Step 4: Making use of Markdown Cells, discuss the main differences between the hydration of small and large hydrophobic solutes according to this paper. List (and comment on) the main approximations involved with the theory of hydrophobic interactions illustrated in the same paper. Step 5: Find the largest portion of empty space (i.e. void) within each of the configurations you have generated in Step 3. Calculate and visualize the probability density function of the largest void in the system as a function of its size
Step by Step Solution
There are 3 Steps involved in it
Get step-by-step solutions from verified subject matter experts
