* Parameter file in the CG representation * Generated using the networking algorithm developed * in the Klaus Schulten group (Theoretical and * Computational Biophysics Group; www.ks.uiuc.edu) * Contact vmd@ks.uiuc.edu with questions BONDS ! !V(bond) = Kb(b - b0)**2 ! !Kb: kcal/mole/A**2 !b0: A ! !atom type Kb b0 ! C C 2.9876 4.7 ANGLES ! !V(angle) = Ktheta(Theta - Theta0)**2 ! !Ktheta: kcal/mole/rad**2 !Theta0: degrees ! !atom types Ktheta Theta0 ! C C C 5.98 180 DIHEDRALS ! !V(dihedral) = Kchi(1 + cos(n(chi) - delta)) ! !Kchi: kcal/mole !n: multiplicity !delta: degrees ! !atom types Kchi n delta ! X X X X 0.00 1 0.0 ! No dihedrals NONBONDED ! !V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] ! !epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) !Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j ! !atom ignored epsilon Rmin/2 ! C 0.000000 -0.8126 4.70000 H 0.000000 -0.4302 4.70000 END