[gmx-users] dihedral potential OPLSAA force field (correction)

[David Huang]

in my previous post, for the values of the Ryckaert-Bellemans
parameters (in kJ/mol) that i calculated

dihedral              C0          C1             C2           C3
C-C-C-C            3.56686   -1.889076   1.313776  -2.33467

should be:

dihedral              C0          C1             C2           C3
C-C-C-C            3.56686   -1.889076   0.656888  -2.33467

-David Huang