start - parameters: File name /home/rpdock/web/media/jobs/1a4e97f7-4e09-4089-b51a-64727243428a//ref_struc/na-prot_7162/na-prot_7162.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/1a4e97f7-4e09-4089-b51a-64727243428a//ref_struc/na-prot_7162/na-prot_7162.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue DC1 in the chain A has not P atom 0 - 948994.86 -885797.13 -285208.01 2120000.00 1 R 383619.58 -837937.77 -258442.65 1480000.00 T= 14985.295 K progress 0.1 2 T 380595.84 -890295.63 -289108.53 1560000.00 T= 14970.59 K progress 0.2 3 T 95460.60 -848426.45 -256112.96 1200000.00 T= 14955.885 K progress 0.3 4 T -71522.20 -804759.71 -226762.49 960000.00 T= 14867.655 K progress 0.4 5 T 83099.37 -833065.45 -243835.18 1160000.00 T= 14852.95 K progress 0.5 6 T -179835.95 -786682.43 -233153.52 840000.00 T= 14838.245 K progress 0.6 7 R -182503.25 -793046.71 -229456.54 840000.00 T= 14823.54 K progress 0.7 8 R -377704.98 -564733.38 -172971.60 360000.00 T= 14808.835 K progress 0.8 9 R -401516.01 -602892.70 -158623.31 360000.00 T= 14779.425 K progress 0.9 10 R -341714.64 -585012.47 -156702.17 400000.00 T= 14750.015 K progress 1.0 11 T -537446.92 -606572.18 -170874.74 240000.00 T= 14735.31 K progress 1.1 12 T -483026.13 -551935.66 -171090.47 240000.00 T= 14720.605 K progress 1.2 13 R -492082.48 -564176.09 -167906.39 240000.00 T= 14647.08 K progress 1.3 14 R -539311.94 -685585.65 -213726.29 360000.00 T= 14632.375 K progress 1.4 15 T -595113.43 -675022.96 -200090.47 280000.00 T= 14602.965 K progress 1.5 16 R -601734.27 -678646.16 -203088.11 280000.00 T= 14573.555 K progress 1.6 17 T -618970.16 -601144.11 -177826.05 160000.00 T= 14558.85 K progress 1.7 18 R -604575.15 -630643.39 -173931.76 200000.00 T= 14544.145 K progress 1.8 19 R -542849.42 -670108.24 -192741.18 320000.00 T= 14529.44 K progress 1.9 20 T -458057.39 -664102.09 -193955.30 400000.00 T= 14514.735 K progress 2.0 21 T -534987.41 -663488.18 -191499.23 320000.00 T= 14500.03 K progress 2.1 22 T -541222.32 -637598.47 -183623.85 280000.00 T= 14485.325 K progress 2.2 23 R -489108.60 -628779.91 -180328.69 320000.00 T= 14470.62 K progress 2.3 24 T -491465.00 -654099.42 -197365.58 360000.00 T= 14426.505 K progress 2.4 25 T -666997.21 -638733.44 -188263.77 160000.00 T= 14411.8 K progress 2.5 26 R -545089.88 -672598.48 -192491.41 320000.00 T= 14382.39 K progress 2.6 27 T -641446.66 -741975.55 -219471.11 320000.00 T= 14367.685 K progress 2.7 28 T -545055.84 -693166.18 -211889.65 360000.00 T= 14352.98 K progress 2.8 29 R -685917.60 -560474.37 -165443.23 40000.00 T= 14338.275 K progress 2.9 30 R -689787.08 -563134.38 -166652.69 40000.00 T= 14294.16 K progress 3.0 31 R -691340.48 -563010.20 -168330.28 40000.00 T= 14264.75 K progress 3.1 32 T -587925.02 -515921.98 -152003.04 80000.00 T= 14250.045 K progress 3.2 33 T -540127.16 -486750.47 -133376.69 80000.00 T= 14235.34 K progress 3.3 34 T -477751.16 -472628.20 -125122.96 120000.00 T= 14220.635 K progress 3.4 35 R -526033.64 -477335.26 -128698.38 80000.00 T= 14205.93 K progress 3.5 36 T -563438.48 -463963.36 -139475.12 40000.00 T= 14191.225 K progress 3.6 37 T -605924.45 -517064.96 -168859.49 80000.00 T= 14176.52 K progress 3.7 38 T -555581.05 -536275.81 -179305.24 160000.00 T= 14147.11 K progress 3.8 39 T -579536.40 -512091.28 -147445.12 80000.00 T= 14132.405 K progress 3.9 40 R -511246.38 -510488.95 -160757.43 160000.00 T= 14117.7 K progress 4.0 41 T -264339.62 -451694.36 -132645.27 320000.00 T= 14102.995 K progress 4.1 42 R -249935.54 -433852.82 -136082.72 320000.00 T= 14088.29 K progress 4.2 43 T -547997.37 -544243.32 -163754.05 160000.00 T= 14073.585 K progress 4.3 44 T -527575.29 -518134.64 -169440.65 160000.00 T= 14000.06 K progress 4.4 45 T -560028.21 -514196.46 -165831.75 120000.00 T= 13985.355 K progress 4.5 46 T -554414.43 -505157.68 -169256.75 120000.00 T= 13970.65 K progress 4.6 47 R -568055.34 -489838.18 -158217.16 80000.00 T= 13955.945 K progress 4.7 48 T -563978.14 -472221.69 -131756.45 40000.00 T= 13941.24 K progress 4.8 49 R -525996.53 -486829.51 -159167.03 120000.00 T= 13926.535 K progress 4.9 50 T -386859.11 -477953.99 -148905.12 240000.00 T= 13897.125 K progress 5.0 51 T -568072.66 -487158.99 -160913.67 80000.00 T= 13882.42 K progress 5.1 52 R -361600.86 -473953.11 -167647.75 280000.00 T= 13808.895 K progress 5.2 53 T -303345.11 -464893.28 -158451.83 320000.00 T= 13794.19 K progress 5.3 54 R -62326.47 -436563.31 -145763.16 520000.00 T= 13764.78 K progress 5.4 55 T -541337.46 -492211.91 -169125.56 120000.00 T= 13750.075 K progress 5.5 56 T -607749.35 -508117.03 -179632.31 80000.00 T= 13735.37 K progress 5.6 57 T -572565.96 -493686.04 -158879.92 80000.00 T= 13691.255 K progress 5.7 58 T -579934.34 -496284.43 -163649.92 80000.00 T= 13661.845 K progress 5.8 59 R -596297.30 -477458.91 -158838.39 40000.00 T= 13603.025 K progress 5.9 60 R -596595.45 -477757.07 -158838.39 40000.00 T= 13573.615 K progress 6.0 61 T -595920.32 -492017.17 -143903.15 40000.00 T= 13558.91 K progress 6.1 62 R -584747.15 -486945.31 -137801.84 40000.00 T= 13544.205 K progress 6.2 63 T -411125.63 -474834.78 -136290.85 200000.00 T= 13529.5 K progress 6.3 64 T -558048.28 -456994.34 -141053.94 40000.00 T= 13514.795 K progress 6.4 65 R -506960.65 -418635.81 -128324.84 40000.00 T= 13470.68 K progress 6.5 66 T -573717.73 -470995.85 -142721.89 40000.00 T= 13455.975 K progress 6.6 67 T -573706.76 -461406.70 -152300.06 40000.00 T= 13441.27 K progress 6.7 68 T -527139.11 -427587.90 -139551.21 40000.00 T= 13411.86 K progress 6.8 69 R -714725.52 -654096.91 -220628.61 160000.00 T= 13397.155 K progress 6.9 70 T -667283.87 -618874.60 -208409.27 160000.00 T= 13353.04 K progress 7.0 71 T -638001.88 -610463.25 -187538.63 160000.00 T= 13338.335 K progress 7.1 72 T -621423.07 -607098.06 -174325.01 160000.00 T= 13323.63 K progress 7.2 73 T -601907.29 -520109.33 -161797.96 80000.00 T= 13308.925 K progress 7.3 74 R -579555.22 -503281.68 -156273.55 80000.00 T= 13294.22 K progress 7.4 75 R -580593.30 -505702.26 -154891.04 80000.00 T= 13250.105 K progress 7.5 76 T -522040.46 -432497.73 -129542.73 40000.00 T= 13235.4 K progress 7.6 77 T -559352.80 -496075.45 -143277.36 80000.00 T= 13220.695 K progress 7.7 78 R -576668.99 -573046.47 -163622.52 160000.00 T= 13205.99 K progress 7.8 79 R -581378.76 -587083.13 -194295.62 200000.00 T= 13191.285 K progress 7.9 80 R -595301.34 -481682.69 -153618.64 40000.00 T= 13176.58 K progress 8.0 81 R -609115.43 -490622.31 -158493.12 40000.00 T= 13147.17 K progress 8.1 82 T -598103.67 -493590.71 -144512.96 40000.00 T= 13117.76 K progress 8.2 83 R -564306.89 -520098.13 -164208.76 120000.00 T= 13014.825 K progress 8.3 84 T -652421.05 -565692.28 -206728.77 120000.00 T= 13000.12 K progress 8.4 85 R -651694.60 -567615.54 -204079.06 120000.00 T= 12970.71 K progress 8.5 86 R -534828.23 -506450.59 -148377.64 120000.00 T= 12956.005 K progress 8.6 87 T -470263.56 -515202.28 -155061.28 200000.00 T= 12926.595 K progress 8.7 88 T -491206.90 -498250.42 -152956.48 160000.00 T= 12911.89 K progress 8.8 89 T -602937.06 -544886.54 -178050.52 120000.00 T= 12897.185 K progress 8.9 90 T -602999.22 -487133.17 -155866.06 40000.00 T= 12882.48 K progress 9.0 91 T -599757.98 -452441.96 -147316.02 0.00 T= 12867.775 K progress 9.1 92 T -602831.12 -551270.95 -171560.17 120000.00 T= 12853.07 K progress 9.2 93 R -590726.70 -579441.90 -171284.80 160000.00 T= 12838.365 K progress 9.3 94 T -585004.53 -616078.12 -168926.41 200000.00 T= 12823.66 K progress 9.4 95 T -656453.83 -600082.32 -176371.51 120000.00 T= 12794.25 K progress 9.5 96 T -730054.70 -546409.80 -183644.90 0.00 T= 12779.545 K progress 9.6 97 T -584832.65 -612792.88 -172039.77 200000.00 T= 12764.84 K progress 9.7 98 R -768557.45 -674608.44 -213949.01 120000.00 T= 12735.43 K progress 9.8 99 R -741753.48 -658816.11 -202937.37 120000.00 T= 12706.02 K progress 9.9 100 R -567396.91 -673300.00 -214096.91 320000.00 T= 12676.61 K progress 10.0 101 T -675452.81 -633875.35 -201577.46 160000.00 T= 12661.905 K progress 10.1 102 T -619958.03 -592808.44 -187149.59 160000.00 T= 12647.2 K progress 10.2 103 T -632770.03 -645476.13 -187293.90 200000.00 T= 12603.085 K progress 10.3 104 T -590034.90 -536378.26 -173656.64 120000.00 T= 12573.675 K progress 10.4 105 T -656839.51 -554703.15 -182136.36 80000.00 T= 12558.97 K progress 10.5 106 T -547879.69 -464331.74 -163547.96 80000.00 T= 12529.56 K progress 10.6 107 T -603389.65 -515199.26 -168190.39 80000.00 T= 12514.855 K progress 10.7 108 T -599758.28 -582058.47 -177699.81 160000.00 T= 12500.15 K progress 10.8 109 R -587079.60 -566429.53 -180650.08 160000.00 T= 12485.445 K progress 10.9 110 R -625119.64 -599421.65 -185697.99 160000.00 T= 12470.74 K progress 11.0 111 T -656909.51 -626236.98 -190672.53 160000.00 T= 12456.035 K progress 11.1 112 T -672647.25 -580745.89 -171901.36 80000.00 T= 12397.215 K progress 11.2 113 R -672980.96 -541098.14 -171882.81 40000.00 T= 12294.28 K progress 11.3 114 T -658438.41 -535091.28 -163347.13 40000.00 T= 12279.575 K progress 11.4 115 T -660129.28 -536370.17 -163759.11 40000.00 T= 12250.165 K progress 11.5 116 T -679596.22 -584609.98 -174986.25 80000.00 T= 12206.05 K progress 11.6 117 R -680716.67 -618812.92 -181903.76 120000.00 T= 12191.345 K progress 11.7 118 T -664177.08 -637312.56 -186864.52 160000.00 T= 12117.82 K progress 11.8 119 R -642833.09 -590509.03 -172324.07 120000.00 T= 12103.115 K progress 11.9 120 T -681167.62 -578502.35 -182665.27 80000.00 T= 12073.705 K progress 12.0 121 T -605628.86 -552997.79 -172631.07 120000.00 T= 12059.0 K progress 12.1 122 T -609100.44 -520143.62 -168956.83 80000.00 T= 12044.295 K progress 12.2 123 T -702757.17 -586210.79 -196546.38 80000.00 T= 12029.59 K progress 12.3 124 R -701618.75 -585068.99 -196549.76 80000.00 T= 12014.885 K progress 12.4 125 R -681199.17 -538353.27 -182845.91 40000.00 T= 11970.77 K progress 12.5 126 R -542751.65 -478362.29 -144389.37 80000.00 T= 11956.065 K progress 12.6 127 R -597110.22 -584947.17 -172163.05 160000.00 T= 11926.655 K progress 12.7 128 R -609684.48 -591398.10 -178286.38 160000.00 T= 11882.54 K progress 12.8 129 R -646578.55 -639231.16 -207347.39 200000.00 T= 11853.13 K progress 12.9 130 T -666264.87 -600632.40 -185632.47 120000.00 T= 11809.015 K progress 13.0 131 R -597421.56 -486306.43 -151115.13 40000.00 T= 11794.31 K progress 13.1 132 R -730154.82 -581598.31 -188556.51 40000.00 T= 11764.9 K progress 13.2 133 T -718642.78 -572206.22 -186436.56 40000.00 T= 11735.49 K progress 13.3 134 R -709760.82 -563302.68 -186458.14 40000.00 T= 11706.08 K progress 13.4 135 R -721988.93 -554645.98 -167342.95 0.00 T= 11691.375 K progress 13.5 136 T -649441.99 -504366.55 -145075.44 0.00 T= 11647.26 K progress 13.6 137 T -610117.72 -472170.18 -137947.55 0.00 T= 11632.555 K progress 13.7 138 R -601677.26 -466634.39 -135042.87 0.00 T= 11617.85 K progress 13.8 139 T -700676.26 -548071.86 -152604.40 0.00 T= 11588.44 K progress 13.9 140 T -633658.48 -552279.61 -161378.87 80000.00 T= 11559.03 K progress 14.0 141 T -647316.58 -531469.18 -155847.40 40000.00 T= 11514.915 K progress 14.1 142 T -658607.01 -510308.45 -148298.55 0.00 T= 11500.21 K progress 14.2 143 R -685888.24 -606152.93 -199735.31 120000.00 T= 11485.505 K progress 14.3 144 R -634409.81 -621039.80 -213370.01 200000.00 T= 11456.095 K progress 14.4 145 T -728407.06 -581573.42 -186833.63 40000.00 T= 11426.685 K progress 14.5 146 T -758888.37 -632117.63 -206770.74 80000.00 T= 11411.98 K progress 14.6 147 R -643096.92 -593558.64 -169538.28 120000.00 T= 11353.16 K progress 14.7 148 R -758985.61 -633110.18 -205875.43 80000.00 T= 11338.455 K progress 14.8 149 R -580604.74 -652594.57 -208010.16 280000.00 T= 11279.635 K progress 14.9 150 R -673753.38 -534588.22 -179165.16 40000.00 T= 11250.225 K progress 15.0 151 T -692554.57 -547456.71 -185097.86 40000.00 T= 11235.52 K progress 15.1 152 T -610522.72 -481928.49 -168594.23 40000.00 T= 11220.815 K progress 15.2 153 T -611557.81 -482511.81 -169046.00 40000.00 T= 11206.11 K progress 15.3 154 R -668237.93 -534318.00 -173919.93 40000.00 T= 11191.405 K progress 15.4 155 T -571557.52 -451153.41 -160404.11 40000.00 T= 11161.995 K progress 15.5 156 T -475512.84 -503968.47 -171544.37 200000.00 T= 11147.29 K progress 15.6 157 T -343422.66 -395159.64 -148263.02 200000.00 T= 11132.585 K progress 15.7 158 R -493764.10 -510426.88 -183337.22 200000.00 T= 11117.88 K progress 15.8 159 T -639957.21 -570116.25 -189840.96 120000.00 T= 11103.175 K progress 15.9 160 T -698688.19 -613361.25 -205326.93 120000.00 T= 11029.65 K progress 16.0 161 R -667671.54 -594030.13 -193641.41 120000.00 T= 11000.24 K progress 16.1 162 T -656153.40 -521536.68 -174616.72 40000.00 T= 10970.83 K progress 16.2 163 T -636747.12 -505097.65 -171649.47 40000.00 T= 10941.42 K progress 16.3 164 T -718666.20 -578372.37 -180293.83 40000.00 T= 10912.01 K progress 16.4 165 T -666338.78 -531528.31 -174810.47 40000.00 T= 10853.19 K progress 16.5 166 T -594175.00 -470129.89 -164045.10 40000.00 T= 10809.075 K progress 16.6 167 T -609917.41 -482953.88 -166963.53 40000.00 T= 10779.665 K progress 16.7 168 T -646889.92 -487406.85 -159483.07 0.00 T= 10764.96 K progress 16.8 169 T -599860.85 -489742.12 -150118.73 40000.00 T= 10720.845 K progress 16.9 170 R -574254.25 -464961.13 -149293.12 40000.00 T= 10691.435 K progress 17.0 171 T -507116.50 -401644.94 -145471.56 40000.00 T= 10662.025 K progress 17.1 172 T -430736.33 -352493.56 -118242.78 40000.00 T= 10647.32 K progress 17.2 173 R -560289.36 -415848.53 -144440.83 0.00 T= 10632.615 K progress 17.3 174 T -632942.18 -484585.48 -148356.69 0.00 T= 10617.91 K progress 17.4 175 R -663764.39 -509424.69 -154339.69 0.00 T= 10603.205 K progress 17.5 176 T -652206.47 -494813.73 -157392.74 0.00 T= 10573.795 K progress 17.6 177 T -720727.38 -542171.42 -178555.96 0.00 T= 10529.68 K progress 17.7 178 T -636094.68 -484005.91 -152088.77 0.00 T= 10514.975 K progress 17.8 179 T -596738.57 -436470.07 -160268.50 0.00 T= 10500.27 K progress 17.9 180 T -724827.46 -539400.16 -185427.30 0.00 T= 10456.155 K progress 18.0 181 T -598656.90 -545961.96 -172694.94 120000.00 T= 10441.45 K progress 18.1 182 R -606666.92 -556004.74 -170662.18 120000.00 T= 10426.745 K progress 18.2 183 R -560822.82 -625455.46 -175367.36 240000.00 T= 10412.04 K progress 18.3 184 R -636312.63 -504363.23 -171949.40 40000.00 T= 10397.335 K progress 18.4 185 R -463747.05 -632463.24 -191283.81 360000.00 T= 10382.63 K progress 18.5 186 R -581363.10 -498644.67 -162718.42 80000.00 T= 10367.925 K progress 18.6 187 R -563266.83 -488207.75 -155059.08 80000.00 T= 10323.81 K progress 18.7 188 T -392970.56 -393797.94 -119172.62 120000.00 T= 10294.4 K progress 18.8 189 T -403287.18 -403239.16 -120048.02 120000.00 T= 10279.695 K progress 18.9 190 T -395641.04 -458848.74 -136792.31 200000.00 T= 10264.99 K progress 19.0 191 T -406772.06 -410884.74 -115887.32 120000.00 T= 10220.875 K progress 19.1 192 R -476949.52 -392731.40 -124218.12 40000.00 T= 10206.17 K progress 19.2 193 R -420398.32 -386474.84 -113923.48 80000.00 T= 10191.465 K progress 19.3 194 R -381902.35 -389624.75 -112277.60 120000.00 T= 10176.76 K progress 19.4 195 R -507389.27 -546365.35 -161023.93 200000.00 T= 10147.35 K progress 19.5 196 R -522036.86 -550262.47 -171774.39 200000.00 T= 10132.645 K progress 19.6 197 R -508228.78 -541708.28 -166520.50 200000.00 T= 10117.94 K progress 19.7 198 T -446841.81 -523023.94 -163817.86 240000.00 T= 10103.235 K progress 19.8 199 T -435991.65 -507704.52 -168287.13 240000.00 T= 10088.53 K progress 19.9 200 R -429359.68 -526477.96 -182881.72 280000.00 T= 10073.825 K progress 20.0 Long traj 201 T -500921.72 -526369.08 -174552.64 200000.00 T= 10059.12 K progress 20.1 202 T -508276.03 -479236.03 -149040.00 120000.00 T= 10029.71 K progress 20.2 203 R -504167.48 -471866.85 -152300.63 120000.00 T= 10000.3 K progress 20.3 204 T -491666.66 -463595.14 -148071.53 120000.00 T= 9926.775 K progress 20.4 205 R -550876.86 -493910.97 -176965.89 120000.00 T= 9912.07 K progress 20.5 206 T -525775.02 -480435.92 -165339.10 120000.00 T= 9882.66 K progress 20.6 207 T -617821.60 -466097.38 -151724.22 0.00 T= 9853.25 K progress 20.7 208 T -644844.11 -542846.11 -181998.00 80000.00 T= 9838.545 K progress 20.8 209 R -716118.58 -532871.64 -183246.94 0.00 T= 9823.84 K progress 20.9 210 T -773523.30 -579928.68 -193594.63 0.00 T= 9794.43 K progress 21.0 211 R -717742.84 -546818.16 -170924.67 0.00 T= 9735.61 K progress 21.1 212 R -571863.04 -436327.30 -135535.74 0.00 T= 9691.495 K progress 21.2 213 R -545110.11 -441563.20 -143546.92 40000.00 T= 9662.085 K progress 21.3 214 T -640312.22 -480367.08 -159945.14 0.00 T= 9632.675 K progress 21.4 215 T -735432.97 -553097.38 -182335.59 0.00 T= 9617.97 K progress 21.5 216 R -770653.13 -584104.98 -186548.15 0.00 T= 9588.56 K progress 21.6 217 R -765893.90 -580489.16 -185404.73 0.00 T= 9544.445 K progress 21.7 218 T -808819.65 -607314.20 -201505.45 0.00 T= 9485.625 K progress 21.8 219 R -792256.18 -630535.36 -201720.81 40000.00 T= 9456.215 K progress 21.9 220 T -613520.85 -488086.61 -165434.25 40000.00 T= 9441.51 K progress 22.0 221 T -560146.78 -449117.86 -151028.93 40000.00 T= 9426.805 K progress 22.1