MSD computing on non-orthorombic universe is wrong
But the computation is right if the box is expressed in a "trianguar shape" For a,b,c vectors: ax 0.0 0.0 bx by 0.0 cx cy cz
But the computation is right if the box is expressed in a "trianguar shape" For a,b,c vectors: ax 0.0 0.0 bx by 0.0 cx cy cz