2026-10-23 21:43:35,932 INFO - start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_10838/prot-na_10838.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-10-23 21:43:37,560 INFO - step #1 T -3005661.94 -2436421.14 -2269240.80 1700000.00 T= 15000.00 K 2026-10-23 21:43:38,878 INFO - step #2 R -3183806.35 -2475480.49 -2308325.86 1600000.00 T= 14955.89 K 2026-10-23 21:43:40,156 INFO - step #3 T -3196572.71 -2478322.54 -2318250.18 1600000.00 T= 14911.77 K 2026-10-23 21:43:41,120 INFO - step #4 R -3227049.71 -2498009.19 -2329040.53 1600000.00 T= 14882.36 K 2026-10-23 21:43:44,189 INFO - step #5 T -2886034.91 -2486278.24 -2299756.67 1900000.00 T= 14764.72 K 2026-10-23 21:43:44,714 INFO - step #6 R -2859748.52 -2479828.39 -2279920.13 1900000.00 T= 14750.02 K 2026-10-23 21:43:45,741 INFO - step #7 R -3062537.16 -2510424.03 -2352113.13 1800000.00 T= 14720.61 K 2026-10-23 21:43:47,000 INFO - step #8 R -3261858.82 -2506854.95 -2355003.86 1600000.00 T= 14676.49 K 2026-10-23 21:43:48,794 INFO - step #9 R -3306904.34 -2414714.03 -2292190.31 1400000.00 T= 14617.67 K 2026-10-23 21:43:57,437 INFO - step #10 R -3307190.99 -2414153.39 -2293037.60 1400000.00 T= 14279.46 K 2026-10-23 21:43:57,977 INFO - step #11 T -3416657.31 -2420931.97 -2295725.34 1300000.00 T= 14264.75 K 2026-10-23 21:43:58,755 INFO - step #12 T -3892805.43 -2503851.48 -2388953.95 1000000.00 T= 14250.05 K 2026-10-23 21:43:59,267 INFO - step #13 R -4027511.36 -2511559.31 -2415952.05 900000.00 T= 14235.34 K 2026-10-23 21:44:03,139 INFO - step #14 R -4051734.90 -2527793.62 -2423941.28 900000.00 T= 14088.29 K 2026-10-23 21:44:07,282 INFO - step #15 R -3887031.34 -2512869.64 -2374161.70 1000000.00 T= 13926.54 K 2026-10-23 21:44:10,682 INFO - step #16 R -4033133.47 -2516512.68 -2416620.79 900000.00 T= 13808.90 K 2026-10-23 21:44:13,728 INFO - step #17 R -4019645.61 -2507800.56 -2411845.06 900000.00 T= 13691.26 K 2026-10-23 21:44:15,331 INFO - step #18 R -4016733.11 -2521719.21 -2395013.90 900000.00 T= 13632.44 K 2026-10-23 21:44:18,903 INFO - step #19 R -3933519.87 -2530684.33 -2402835.53 1000000.00 T= 13500.09 K 2026-10-23 21:44:25,607 INFO - step #20 R -3893179.38 -2512053.96 -2381125.42 1000000.00 T= 13250.11 K 2026-10-23 21:44:26,129 INFO - step #21 R -3926372.61 -2526661.80 -2399710.81 1000000.00 T= 13235.40 K 2026-10-23 21:44:30,231 INFO - step #22 R -3862405.32 -2494736.23 -2367669.09 1000000.00 T= 13073.65 K 2026-10-23 21:44:31,830 INFO - step #23 R -3875365.97 -2499160.22 -2376205.75 1000000.00 T= 13014.83 K 2026-10-23 21:44:35,180 INFO - step #24 R -3869486.42 -2484460.80 -2385025.62 1000000.00 T= 12882.48 K 2026-10-23 21:44:36,564 INFO - step #25 T -3846752.67 -2448213.98 -2298538.68 900000.00 T= 12853.07 K 2026-10-23 21:44:39,995 INFO - step #26 R -3915494.83 -2493749.98 -2321744.85 900000.00 T= 12720.73 K 2026-10-23 21:44:40,508 INFO - step #27 R -3939773.25 -2502279.36 -2337493.89 900000.00 T= 12706.02 K 2026-10-23 21:44:51,657 INFO - step #28 R -3824350.36 -2454987.38 -2269362.98 900000.00 T= 12264.87 K 2026-10-23 21:44:52,540 INFO - step #29 R -3847306.07 -2468840.95 -2278465.13 900000.00 T= 12235.46 K 2026-10-23 21:45:03,331 INFO - step #30 R -3774023.02 -2412680.99 -2261342.03 900000.00 T= 11809.02 K 2026-10-23 21:45:04,656 INFO - step #31 R -3778589.20 -2435098.36 -2243490.85 900000.00 T= 11764.90 K 2026-10-23 21:45:07,997 INFO - step #32 T -3762492.57 -2508902.79 -2353589.78 1100000.00 T= 11661.97 K 2026-10-23 21:45:09,246 INFO - step #33 R -3704945.77 -2477570.77 -2327375.00 1100000.00 T= 11617.85 K 2026-10-23 21:45:09,766 INFO - step #34 T -3786091.72 -2399712.07 -2286379.66 900000.00 T= 11603.15 K 2026-10-23 21:45:14,691 INFO - step #35 R -3789091.35 -2403021.67 -2286069.67 900000.00 T= 11411.98 K 2026-10-23 21:45:15,941 INFO - step #36 R -3814523.28 -2406095.35 -2308427.94 900000.00 T= 11367.87 K 2026-10-23 21:45:16,465 INFO - step #37 R -3813339.13 -2434431.98 -2278907.15 900000.00 T= 11353.16 K 2026-10-23 21:45:16,993 INFO - step #38 R -3783356.84 -2404934.99 -2278421.85 900000.00 T= 11338.46 K 2026-10-23 21:45:21,546 INFO - step #39 R -3781411.82 -2403801.81 -2277610.01 900000.00 T= 11162.00 K 2026-10-23 21:45:23,585 INFO - step #40 R -3819066.72 -2402558.13 -2316508.59 900000.00 T= 11117.88 K 2026-10-23 21:45:28,212 INFO - step #41 R -3812638.46 -2398298.48 -2314339.98 900000.00 T= 10941.42 K 2026-10-23 21:45:32,082 INFO - step #42 R -3820785.18 -2433229.31 -2287555.87 900000.00 T= 10794.37 K 2026-10-23 21:45:36,343 INFO - step #43 R -3796308.77 -2415969.97 -2280338.80 900000.00 T= 10632.62 K 2026-10-23 21:45:40,895 INFO - step #44 T -3867568.90 -2394736.15 -2272832.75 800000.00 T= 10456.16 K 2026-10-23 21:45:41,792 INFO - step #45 T -3869368.07 -2498820.26 -2370547.81 1000000.00 T= 10426.75 K 2026-10-23 21:45:42,680 INFO - step #46 R -3880678.83 -2528586.91 -2352091.92 1000000.00 T= 10397.34 K 2026-10-23 21:45:43,201 INFO - step #47 T -3858159.72 -2497915.97 -2360243.75 1000000.00 T= 10382.63 K 2026-10-23 21:45:46,294 INFO - step #48 T -3836367.67 -2505056.95 -2331310.71 1000000.00 T= 10264.99 K 2026-10-23 21:45:53,045 INFO - step #49 R -3848644.24 -2500374.10 -2348270.14 1000000.00 T= 10000.30 K 2026-10-23 21:45:54,555 INFO - step #50 R -4041392.83 -2541837.94 -2399554.89 900000.00 T= 9985.60 K 2026-10-23 21:45:59,841 INFO - step #51 R -4043575.37 -2541837.94 -2401737.43 900000.00 T= 9779.73 K 2026-10-23 21:46:19,040 INFO - step #52 R -4030966.11 -2539964.14 -2391001.97 900000.00 T= 9015.07 K 2026-10-23 21:46:20,670 INFO - step #53 R -4026376.51 -2539714.46 -2386662.05 900000.00 T= 8956.25 K 2026-10-23 21:46:26,095 INFO - step #54 R -3878200.61 -2508857.69 -2369342.92 1000000.00 T= 8750.38 K 2026-10-23 21:46:26,623 INFO - step #55 R -4039861.78 -2546855.78 -2393006.00 900000.00 T= 8735.67 K 2026-10-23 21:46:28,992 INFO - step #56 R -4048695.65 -2549476.41 -2399219.23 900000.00 T= 8647.44 K 2026-10-23 21:46:29,521 INFO - step #57 R -4018240.35 -2522364.44 -2395875.91 900000.00 T= 8632.74 K 2026-10-23 21:46:47,901 INFO - step #58 T -4047056.20 -2536623.52 -2410432.68 900000.00 T= 7912.19 K 2026-10-23 21:46:50,663 INFO - step #59 R -4044365.07 -2532005.20 -2412359.87 900000.00 T= 7809.26 K 2026-10-23 21:46:55,993 INFO - step #60 R -4034977.57 -2527606.92 -2407370.65 900000.00 T= 7603.39 K 2026-10-23 21:46:56,565 INFO - step #61 R -4033805.50 -2526434.85 -2407370.65 900000.00 T= 7588.68 K 2026-10-23 21:47:07,588 INFO - step #62 R -4027029.02 -2522674.73 -2404354.29 900000.00 T= 7235.76 K 2026-10-23 21:47:08,112 INFO - step #63 T -4059076.44 -2544399.32 -2414677.13 900000.00 T= 7221.06 K 2026-10-23 21:47:09,023 INFO - step #64 R -4140292.63 -2594405.59 -2445887.04 900000.00 T= 7191.65 K 2026-10-23 21:47:10,310 INFO - step #65 R -4129934.19 -2588446.22 -2441487.97 900000.00 T= 7147.53 K 2026-10-23 21:47:19,264 INFO - step #66 R -4074367.97 -2552495.14 -2421872.83 900000.00 T= 6794.61 K 2026-10-23 21:47:21,269 INFO - step #67 R -4099077.56 -2563245.45 -2435832.11 900000.00 T= 6721.09 K 2026-10-23 21:47:22,931 INFO - step #68 R -4102287.48 -2569703.31 -2432584.16 900000.00 T= 6662.27 K 2026-10-23 21:47:29,808 INFO - step #69 R -4092626.00 -2561739.82 -2430886.18 900000.00 T= 6397.58 K 2026-10-23 21:47:35,824 INFO - step #70 R -4104155.58 -2570733.40 -2433422.18 900000.00 T= 6162.30 K 2026-10-23 21:47:42,219 INFO - step #71 R -4102128.03 -2557891.11 -2444236.92 900000.00 T= 5912.31 K 2026-10-23 21:47:45,705 INFO - step #72 R -4063321.39 -2538848.24 -2424473.15 900000.00 T= 5779.97 K 2026-10-23 21:47:46,236 INFO - step #73 R -4071145.37 -2545955.25 -2425190.11 900000.00 T= 5765.26 K 2026-10-23 21:47:47,117 INFO - step #74 R -4152802.26 -2593916.11 -2458886.15 900000.00 T= 5735.85 K 2026-10-23 21:48:05,197 INFO - step #75 R -4140229.76 -2584691.21 -2455538.55 900000.00 T= 5030.01 K 2026-10-23 21:48:07,131 INFO - start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_10838/prot-na_10838.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-10-23 21:48:08,835 INFO - step #1 R -2691466.01 -2418919.47 -2272546.54 2000000.00 T= 15000.00 K 2026-10-23 21:48:10,183 INFO - step #2 R -2698567.79 -2423192.16 -2275375.63 2000000.00 T= 14955.89 K 2026-10-23 21:48:10,705 INFO - step #3 T -2999842.50 -2616372.83 -2383469.67 2000000.00 T= 14941.18 K 2026-10-23 21:48:12,406 INFO - step #4 T -2925904.33 -2618632.28 -2407272.05 2100000.00 T= 14882.36 K 2026-10-23 21:48:13,659 INFO - step #5 R -3083593.06 -2567237.80 -2316355.26 1800000.00 T= 14838.25 K 2026-10-23 21:48:20,060 INFO - step #6 R -2865050.49 -2504029.82 -2261020.67 1900000.00 T= 14588.26 K 2026-10-23 21:48:22,564 INFO - step #7 R -2734572.85 -2478194.70 -2256378.15 2000000.00 T= 14500.03 K 2026-10-23 21:48:23,801 INFO - step #8 R -2886323.12 -2512148.79 -2274174.33 1900000.00 T= 14455.92 K 2026-10-23 21:48:24,505 INFO - step #9 R -2899301.45 -2516901.96 -2282399.49 1900000.00 T= 14441.21 K 2026-10-23 21:48:26,114 INFO - step #10 R -2966541.09 -2636490.38 -2430050.71 2100000.00 T= 14382.39 K 2026-10-23 21:48:27,007 INFO - step #11 R -2733167.76 -2668196.88 -2464970.87 2400000.00 T= 14352.98 K 2026-10-23 21:48:31,067 INFO - step #12 R -2927257.64 -2614654.14 -2412603.51 2100000.00 T= 14205.93 K 2026-10-23 21:48:32,678 INFO - step #13 R -2925179.49 -2615700.44 -2409479.05 2100000.00 T= 14147.11 K 2026-10-23 21:48:34,287 INFO - step #14 R -2733733.39 -2668196.88 -2465536.51 2400000.00 T= 14088.29 K 2026-10-23 21:48:34,808 INFO - step #15 R -2716356.69 -2658580.97 -2457775.72 2400000.00 T= 14073.59 K 2026-10-23 21:48:39,250 INFO - step #16 T -3060230.07 -2495491.06 -2264739.01 1700000.00 T= 13911.83 K 2026-10-23 21:48:43,045 INFO - step #17 R -2820622.93 -2435304.40 -2285318.53 1900000.00 T= 13764.78 K 2026-10-23 21:48:43,555 INFO - step #18 T -2776320.15 -2490858.34 -2285461.80 2000000.00 T= 13750.08 K 2026-10-23 21:48:44,803 INFO - step #19 T -2525563.96 -2516473.04 -2309090.93 2300000.00 T= 13705.96 K 2026-10-23 21:48:46,093 INFO - step #20 R -3372251.15 -2469280.34 -2302970.81 1400000.00 T= 13676.55 K 2026-10-23 21:48:52,188 INFO - step #21 T -3346345.68 -2463240.10 -2283105.58 1400000.00 T= 13441.27 K 2026-10-23 21:48:53,090 INFO - step #22 R -3473384.72 -2403757.13 -2269627.60 1200000.00 T= 13411.86 K 2026-10-23 21:48:56,171 INFO - step #23 R -3537840.37 -2434740.65 -2303099.73 1200000.00 T= 13294.22 K 2026-10-23 21:48:57,408 INFO - step #24 R -3283465.10 -2333645.19 -2249819.91 1300000.00 T= 13250.11 K 2026-10-23 21:48:59,863 INFO - step #25 T -2904733.75 -2282478.88 -2222254.88 1600000.00 T= 13176.58 K 2026-10-23 21:49:00,738 INFO - step #26 R -3228894.68 -2303294.13 -2225600.55 1300000.00 T= 13147.17 K 2026-10-23 21:49:01,278 INFO - step #27 T -3523648.39 -2362235.33 -2261413.05 1100000.00 T= 13132.47 K 2026-10-23 21:49:02,922 INFO - step #28 R -3677372.35 -2376106.49 -2301265.86 1000000.00 T= 13073.65 K 2026-10-23 21:49:06,288 INFO - step #29 T -3810455.78 -2401373.23 -2309082.55 900000.00 T= 12941.30 K 2026-10-23 21:49:07,591 INFO - step #30 R -3805398.31 -2401209.58 -2304188.73 900000.00 T= 12897.19 K 2026-10-23 21:49:11,401 INFO - step #31 R -3459955.77 -2382964.73 -2276991.04 1200000.00 T= 12750.14 K 2026-10-23 21:49:13,261 INFO - step #32 R -3262383.34 -2336489.51 -2225893.83 1300000.00 T= 12706.02 K 2026-10-23 21:49:13,775 INFO - step #33 R -3458172.00 -2384622.97 -2273549.03 1200000.00 T= 12691.32 K 2026-10-23 21:49:14,693 INFO - step #34 T -3524888.58 -2317286.34 -2207602.24 1000000.00 T= 12661.91 K 2026-10-23 21:49:15,209 INFO - step #35 T -3521026.32 -2376890.28 -2244136.04 1100000.00 T= 12647.20 K 2026-10-23 21:49:17,586 INFO - step #36 T -3612873.76 -2416446.65 -2296427.11 1100000.00 T= 12558.97 K 2026-10-23 21:49:19,570 INFO - step #37 R -3612350.70 -2419200.32 -2293150.38 1100000.00 T= 12485.45 K 2026-10-23 21:49:25,394 INFO - step #38 R -3645914.92 -2438721.78 -2307193.14 1100000.00 T= 12264.87 K 2026-10-23 21:49:28,493 INFO - step #39 T -3728023.61 -2542223.09 -2385800.52 1200000.00 T= 12147.23 K 2026-10-23 21:49:30,923 INFO - step #40 T -3561485.41 -2399839.36 -2261646.06 1100000.00 T= 12088.41 K 2026-10-23 21:49:31,825 INFO - step #41 R -3553473.89 -2406159.79 -2247314.10 1100000.00 T= 12059.00 K 2026-10-23 21:49:34,187 INFO - step #42 T -3584895.26 -2341613.16 -2243282.10 1000000.00 T= 11970.77 K 2026-10-23 21:49:38,402 INFO - step #43 R -3704606.92 -2364529.20 -2240077.71 900000.00 T= 11809.02 K 2026-10-23 21:49:47,036 INFO - step #44 R -3683430.44 -2358628.89 -2224801.55 900000.00 T= 11470.80 K 2026-10-23 21:49:48,675 INFO - step #45 R -3602606.82 -2369834.83 -2232772.00 1000000.00 T= 11411.98 K 2026-10-23 21:49:58,107 INFO - step #46 T -3457230.86 -2478841.24 -2378389.62 1400000.00 T= 11044.36 K 2026-10-23 21:49:58,647 INFO - step #47 T -3788961.42 -2484987.13 -2303974.28 1000000.00 T= 11029.65 K 2026-10-23 21:49:59,523 INFO - step #48 R -3795569.39 -2491375.84 -2304193.55 1000000.00 T= 11000.24 K 2026-10-23 21:50:00,062 INFO - step #49 R -3869376.40 -2508551.40 -2360825.00 1000000.00 T= 10985.54 K 2026-10-23 21:50:01,583 INFO - step #50 R -3814818.89 -2499162.08 -2315656.81 1000000.00 T= 10970.83 K 2026-10-23 21:50:04,345 INFO - step #51 R -3795072.00 -2487093.99 -2307978.01 1000000.00 T= 10867.90 K 2026-10-23 21:50:05,263 INFO - step #52 R -3770973.13 -2477770.63 -2293202.50 1000000.00 T= 10838.49 K 2026-10-23 21:50:10,206 INFO - step #53 R -3796161.12 -2482728.88 -2313432.23 1000000.00 T= 10647.32 K 2026-10-23 21:50:13,710 INFO - step #54 T -3880586.33 -2509511.76 -2371074.57 1000000.00 T= 10514.98 K 2026-10-23 21:50:16,438 INFO - step #55 R -3787278.30 -2497942.39 -2389335.92 1100000.00 T= 10412.04 K 2026-10-23 21:50:26,647 INFO - step #56 R -3862673.97 -2498980.10 -2363693.87 1000000.00 T= 10015.01 K 2026-10-23 21:50:27,172 INFO - step #57 R -3862673.97 -2498980.10 -2363693.87 1000000.00 T= 10000.30 K 2026-10-23 21:50:31,377 INFO - step #58 R -3951708.29 -2547336.03 -2404372.26 1000000.00 T= 9838.55 K 2026-10-23 21:50:31,919 INFO - step #59 R -3906098.20 -2529208.80 -2376889.40 1000000.00 T= 9823.84 K 2026-10-23 21:50:38,787 INFO - step #60 R -3883182.28 -2518957.44 -2364224.84 1000000.00 T= 9559.15 K 2026-10-23 21:50:39,344 INFO - step #61 R -3879525.57 -2516695.61 -2362829.96 1000000.00 T= 9544.45 K 2026-10-23 21:50:43,827 INFO - step #62 R -3889508.64 -2517996.61 -2371512.03 1000000.00 T= 9426.81 K 2026-10-23 21:50:47,672 INFO - step #63 R -3934721.20 -2540461.46 -2394259.75 1000000.00 T= 9279.76 K 2026-10-23 21:50:50,791 INFO - step #64 R -3925373.20 -2532559.49 -2392813.71 1000000.00 T= 9162.12 K 2026-10-23 21:50:51,313 INFO - step #65 R -3910589.31 -2522936.43 -2387652.88 1000000.00 T= 9147.41 K 2026-10-23 21:50:53,319 INFO - step #66 R -3912397.04 -2525486.11 -2386910.93 1000000.00 T= 9073.89 K 2026-10-23 21:50:54,603 INFO - step #67 R -3929216.35 -2537898.98 -2391317.36 1000000.00 T= 9029.77 K 2026-10-23 21:50:56,285 INFO - step #68 R -3949059.19 -2539328.03 -2409731.16 1000000.00 T= 8970.95 K 2026-10-23 21:51:01,292 INFO - step #69 R -3963875.23 -2547578.49 -2416296.74 1000000.00 T= 8779.79 K 2026-10-23 21:51:04,805 INFO - step #70 T -3934425.99 -2531317.34 -2403108.65 1000000.00 T= 8647.44 K 2026-10-23 21:51:12,345 INFO - step #71 R -3945944.05 -2528084.93 -2417859.12 1000000.00 T= 8353.34 K 2026-10-23 21:51:19,841 INFO - step #72 R -3944445.61 -2535034.05 -2409411.56 1000000.00 T= 8059.24 K 2026-10-23 21:51:25,616 INFO - step #73 R -3959118.28 -2541284.56 -2417833.71 1000000.00 T= 7838.67 K 2026-10-23 21:51:31,335 INFO - step #74 R -3961093.10 -2531122.68 -2429970.43 1000000.00 T= 7618.09 K 2026-10-23 21:51:34,768 INFO - step #75 R -3920603.54 -2516782.96 -2403820.58 1000000.00 T= 7485.75 K