TABLE 3.

Lowest energies found in test simulations of different algorithms and move sets

		Simple move set‡				Combined move set§
		〈E1〉¶		Emin‖		〈E1〉		Emin
IP*	N†	PHS**	RS††	PHS	RS	PHS	RS	PHS	RS
1ppt_	36	−676.9	−666.4	−704.2	−699.2	−700.8	−700.2	−713.1	−712.2
1eq7A	56	−1123.6	−1091.1	−1147.5	−1116.0	−1140.3	−1131.8	−1170.7	−1168.7
2cdx_	60	−1047.4	−1032.9	−1116.6	−1111.2	−1062.1	−1082.1	−1149.1	−1154.6
1aiw_	62	−1144.7	−1130.3	−1199.8	−1177.5	−1149.0	−1176.9	−1205.9	−1220.1
1ail_	70	−1534.0	−1505.0	−1594.0	−1554.1	−1583.8	−1571.6	−1642.8	−1612.3
1kp6A	79	−1669.0	−1658.5	−1725.5	−1731.8	−1669.8	−1669.7	−1734.7	−1737.9
1npsA	88	−1719.0	−1714.1	−1799.5	−1797.6	−1745.3	−1747.8	−1835.6	−1843.6
1fna_	91	−1924.1	1945.2	−2018.4	−2018.8	−1984.9	−1986.6	−2068.2	−2077.7
1t1dA	100	−2152.1	−2142.5	−2265.5	−2281.0	−2188.5	−2163.3	−2288.7	−2279.5
1tul_	102	−1836.1	−1809.9	−1950.3	−1925.2	−1940.1	−1928.7	−2022.0	−2042.0
1bkf_	107	−1769.5	−1730.9	−1895.6	−1842.9	−1867.7	−1867.6	−1989.3	−1971.8
2mcm_	112	−1902.8	−1861.1	−2025.5	−1986.9	−1912.8	−1910.7	−2109.9	−2109.3
1dhn_	121	−2621.5	−2600.6	−2740.5	−2694.6	−2647.5	−2646.7	−2733.0	−2734.3
1bfg_	126	−2231.5	−2157.8	−2407.4	−2352.9	−2297.4	−2298.2	−2410.3	2411.0
1lid_	131	−2527.2	−2467.7	−2699.2	−2638.9	−2618.7	−2603.2	−2708.4	−2701.6
1f4pA	147	−3516.3	−3534.8	−3673.8	−3663.2	−3555.0	−3555.2	−3703.7	−3701.1
2i1b_	153	−2856.9	−2852.3	−3038.2	−3011.1	−2918.9	−2905.7	−3110.6	−3101.2
1qstA	160	−3483.0	−3481.5	−3708.8	−3689.0	−3533.7	−3532.3	−3727.2	−3701.8
1koe_	172	−3029.0	−2974.4	−3225.2	−3167.9	−3081.4	−3069.4	−3278.5	−3255.2
1amm_	174	−2877.3	−2758.6	−3129.0	−3003.1	−3027.1	−3007.0	−3288.9	−3217.3
〈⋯〉		−2081.9	−2055.8	−2203.2	−2173.1	−2131.2	−2127.7	−2244.5	−2237.7

The underlines denote the lower energies between PHS and RS simulations.

^*PDB code of test proteins.

^†Length of test protein.

^‡Simulations using only basic 2- and 3-bond movements.

^§Simulations using all the movements in the text.

^¶The average energy in the trajectory of the lowest-temperature replica.

^‖The lowest energy found in the simulation.

^**Parallel hyperbolic sampling method.

^††Replica sampling method.