##### namd-l: Re: how to calculate the box size

Mar 06, 2012· The box size was calculated by (max_x-min_x, max_y-min_y, > >> max_z-min_z), where max_x,y,z and min_x, y, z are the maximum and. > >> minimum coordinate values of the extracted frame. However, the box. > >> size calculated in this way is a little larger than the real one, > >> resulting in gaps in the recentered box.