Lennard-Jones potential in CHARMM

From: Lixia Jin Day (ljin12_at_asu.edu)
Date: Thu Oct 08 2009 - 16:19:16 CDT

In the parameter file:* par_all27_prot_na.inp*, it was written:

V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]

I am not clear why the last term times '2'. The potential was written
anywhere else as:
V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - (Rmin,i,j/ri,j)**6]

Do you have a clue? Thank you!

Lixia

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