Hi, There's no prescription. Check the papers by Åqvist. Ran. Raghunadha Reddy Burri wrote: > Dear all, > > I hope van der waals and electrostatic scaling factors in the LIE > equation (g_lie) are system dependent (Ref: DK Jones-hertzog et al. > 1996). Any one please give me a suggestion to calculate Clj and Cqq > (as per g_lie program) in my protein-ligand system. I used GROMOS96 > 43a2 force field (improved alkane dihedrals) with SPCE water molecules. > > Thank you very much in advance. > > Sincerely, > > Burri
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