Simulated water models with Apoferritin for use in cryo-EM image simulations with amorphous ice

This dataset contains the atomic coordinates of several water models produced using the NAMD molecular dynamics software. The contents of each file is listed below. <strong><em>water_81_coords.pdb</em></strong> - water only in a cubic box with side length 81A <strong><em>water_243_coords.pdb</em></strong> - water only in a cubic box with side length 243A <strong><em>water_486_coords.pdb</em></strong> - water only in a cubic box with side length 486A <strong>water_567_coords.pdb</strong> - water only in a cubic box with side length 567A <strong><em>water_645_coords.pdb</em></strong> - water only in a cubic box with side length 645A <strong><em>water_735_coords.pdb</em></strong> - water only in a cubic box with side length 735A <strong><em>apo_water_723_coords.pdb</em></strong> - water and apoferritin in a cubic box with side length 723A where apoferritin atoms are constrained