. Author manuscript; available in PMC: 2011 Dec 14.

Published in final edited form as: J Phys Chem B. 2007 Jan 11;111(1):260–285. doi: 10.1021/jp065380a

Table 7.

Final energy-term weights resulting from the optimization of the UNRES force field using 1E0G as a training protein

weight^a

w_SC

1.70905

w_{SC_p}

2.18310

w_{p p}^{e l}

1.06684

w_{p p}^{VDW}

0.27044

w_b

1.17536

W_rot

0.22070

W_tor

2.65798

W_tord

2.00646

w_{corr}^{(3)}

0.42789

w_{corr}^{(4)}

0.23541

w_{turn}^{(3)}

1.68126

w_{turn}^{(4)}

0.75080

The correlation terms of order higher than 4 were set to zero, and the initial weights were taken from the interim2 column of Table 5; these weights instead of the final weights from Table 5 were selected as the starting weights because they correspond to original U_{SC_iSC_j} parameters determined in ref 19.