[gmx-users] LJ parameters formula in OPLS-AA

[Alexandre Suman de Araujo]

Hi Gmxers!!!!

I'm looking for some LJ parameters for Pb and I was looking to the 
ffgmxnb.itp and ffoplsaanb.itp and I saw that for the same atom type (Ca 
for example), the parameters are different in both files.
My question is: The expressions:

C6 = 4*Epsilon*Sigma^6
C12 = 4*Epsilon*Sigma^12

Is the same for ffgmx and ffoplsaa???? Or to oplsaa the convention is 
another????

Thank's a lot!!!

[]'s

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil