I have a question as to how the program QMol calculates the RMSD of two
structures.
I used Excel to calculate the RMSD for two different conformations of the same molecule and compared the result that I get using QMol, and I get two different values, and I am wondering why that is. In Excel, I calculated the distances between the same two atoms in the
two conformations, squared them, added them up, then divided by the number
of atoms.
It looks to me like QMol does something different. Thanks in advance,
From Jason D. Gans: Hello,
