Hi all:
In the MMFF document, the format of VDW interaction energy exist difference in two document, MMFF.doc and MMFF_par.doc,

{1.12R*IJ/(Rij+0.12R*IJ)}**7*{1.07R*IJ/(Rij**7+0.07R*IJ**7)-2}

{1.07R*IJ/(Rij+0.07R*IJ)}**7*{1.12R*IJ/(Rij**7+0.12R*IJ**7)-2}

What is the reason and which one is right.

Thanks!

Last edited by lwwd; 01/07/05 06:28 AM.