How Preferential binding coefficient ?

hello,

I have performed simulation for protein and ligand (unbound state) in NPT ensemble. I want to find their preferential binding coefficient using Kirkwood-Buff (G factor).

After searching in forum, I found a sample script ~/test/c27test/solanal2.inp in which the key RDSP is given for radius. Can anyone tell me how the radius is assigned here?


Please help.
Thanks!

I didn't find the right solution from the Internet.

Reference:
www.charmm.org/ubbthreads/ubbthreads.php...mber=35614#Post35614



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