2021-05-07 22:51:54,768 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_5796/prot-na_5796.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2021-05-07 22:51:56,898 INFO - step #1 T -348286.01 -714326.50 -193959.51 560000.00 T= 14950.15 K
2021-05-07 22:51:57,688 INFO - step #2 R -278323.36 -700533.40 -177789.96 600000.00 T= 14800.61 K
2021-05-07 22:51:58,495 INFO - step #3 R -252318.12 -676391.83 -175926.29 600000.00 T= 14601.22 K
2021-05-07 22:51:58,998 INFO - step #4 R -291668.53 -741597.22 -190071.31 640000.00 T= 14501.53 K
2021-05-07 22:52:00,070 INFO - step #5 R -175117.10 -707248.25 -187868.86 720000.00 T= 14252.29 K
2021-05-07 22:52:00,564 INFO - step #6 T -124791.63 -693695.22 -191096.42 760000.00 T= 14202.44 K
2021-05-07 22:52:00,871 INFO - step #7 R -200966.43 -709185.00 -171781.43 680000.00 T= 14152.59 K
2021-05-07 22:52:01,873 INFO - step #8 T -129720.41 -751775.70 -217944.70 840000.00 T= 14003.05 K
2021-05-07 22:52:02,664 INFO - step #9 T -185766.63 -722352.45 -223414.19 760000.00 T= 13853.51 K
2021-05-07 22:52:03,376 INFO - step #10 R -156734.92 -695244.57 -221490.35 760000.00 T= 13703.97 K
2021-05-07 22:52:03,838 INFO - step #11 T -169209.47 -683065.16 -206144.31 720000.00 T= 13654.12 K
2021-05-07 22:52:04,431 INFO - step #12 R -161168.59 -676475.70 -204692.89 720000.00 T= 13554.42 K
2021-05-07 22:52:04,773 INFO - step #13 R -166484.76 -680326.12 -206158.64 720000.00 T= 13504.58 K
2021-05-07 22:52:05,104 INFO - step #14 R -302709.96 -637342.82 -185367.15 520000.00 T= 13454.73 K
2021-05-07 22:52:05,449 INFO - step #15 R -302470.12 -690203.60 -212266.52 600000.00 T= 13404.88 K
2021-05-07 22:52:05,800 INFO - step #16 R -316051.31 -697513.37 -218537.94 600000.00 T= 13355.03 K
2021-05-07 22:52:06,421 INFO - step #17 R -326747.48 -704984.93 -221762.55 600000.00 T= 13255.34 K
2021-05-07 22:52:06,931 INFO - step #18 T -403909.06 -609774.94 -194134.11 400000.00 T= 13155.64 K
2021-05-07 22:52:07,525 INFO - step #19 T -263896.83 -682703.88 -221192.95 640000.00 T= 13105.80 K
2021-05-07 22:52:08,105 INFO - step #20 R -208130.42 -632017.98 -216112.44 640000.00 T= 13055.95 K
2021-05-07 22:52:08,591 INFO - step #21 R -204607.92 -641184.93 -203423.00 640000.00 T= 13006.10 K
2021-05-07 22:52:08,887 INFO - step #22 T -183392.29 -495558.21 -167834.08 480000.00 T= 12956.25 K
2021-05-07 22:52:09,656 INFO - step #23 T -61848.51 -473607.69 -148240.82 560000.00 T= 12856.56 K
2021-05-07 22:52:10,225 INFO - step #24 R -171337.54 -507147.00 -184190.55 520000.00 T= 12806.71 K
2021-05-07 22:52:10,910 INFO - step #25 R -427665.06 -456256.92 -171408.14 200000.00 T= 12707.02 K
2021-05-07 22:52:11,745 INFO - step #26 R -427454.74 -463145.10 -164309.64 200000.00 T= 12607.32 K
2021-05-07 22:52:12,036 INFO - step #27 T -360166.79 -429285.78 -170881.01 240000.00 T= 12557.47 K
2021-05-07 22:52:12,398 INFO - step #28 T -475919.77 -490760.66 -185159.11 200000.00 T= 12507.63 K
2021-05-07 22:52:13,361 INFO - step #29 T -479219.02 -462373.16 -176845.86 160000.00 T= 12308.24 K
2021-05-07 22:52:13,810 INFO - step #30 T -205700.41 -412577.37 -153123.03 360000.00 T= 12258.39 K
2021-05-07 22:52:14,577 INFO - step #31 T -433566.74 -459086.88 -174479.86 200000.00 T= 12158.69 K
2021-05-07 22:52:16,364 INFO - step #32 T -275032.15 -437522.81 -157509.33 320000.00 T= 11859.61 K
2021-05-07 22:52:16,655 INFO - step #33 R -341712.11 -436074.54 -145637.57 240000.00 T= 11809.76 K
2021-05-07 22:52:17,098 INFO - step #34 T -474466.20 -417754.65 -136711.55 80000.00 T= 11759.92 K
2021-05-07 22:52:17,463 INFO - step #35 T -417849.87 -378200.17 -119649.70 80000.00 T= 11710.07 K
2021-05-07 22:52:17,757 INFO - step #36 R -483588.10 -393977.45 -129610.64 40000.00 T= 11660.22 K
2021-05-07 22:52:18,655 INFO - step #37 T -397392.21 -395502.79 -121889.43 120000.00 T= 11410.98 K
2021-05-07 22:52:19,040 INFO - step #38 T -368273.95 -386076.54 -102197.41 120000.00 T= 11361.14 K
2021-05-07 22:52:19,441 INFO - step #39 T -443666.78 -370497.50 -113169.28 40000.00 T= 11311.29 K
2021-05-07 22:52:20,022 INFO - step #40 R -368037.17 -375973.33 -112063.84 120000.00 T= 11161.75 K
2021-05-07 22:52:20,923 INFO - step #41 T -501864.70 -374909.03 -126955.67 0.00 T= 11111.90 K
2021-05-07 22:52:21,917 INFO - step #42 T -385308.03 -386311.37 -118996.66 120000.00 T= 10912.51 K
2021-05-07 22:52:22,220 INFO - step #43 R -411063.88 -421552.58 -149511.30 160000.00 T= 10862.66 K
2021-05-07 22:52:22,530 INFO - step #44 T -409970.63 -431943.42 -138027.21 160000.00 T= 10812.81 K
2021-05-07 22:52:22,971 INFO - step #45 R -397799.24 -421262.48 -136536.76 160000.00 T= 10762.97 K
2021-05-07 22:52:23,360 INFO - step #46 T -474306.60 -478632.43 -155674.17 160000.00 T= 10713.12 K
2021-05-07 22:52:24,157 INFO - step #47 R -490574.28 -493803.22 -156771.07 160000.00 T= 10563.58 K
2021-05-07 22:52:25,730 INFO - step #48 T -548730.27 -509572.19 -159158.07 120000.00 T= 10164.80 K
2021-05-07 22:52:26,799 INFO - step #49 R -444181.16 -459402.13 -144779.03 160000.00 T= 9965.41 K
2021-05-07 22:52:27,249 INFO - step #50 T -457666.22 -433823.88 -143842.34 120000.00 T= 9865.71 K
2021-05-07 22:52:28,046 INFO - step #51 T -467985.95 -503478.91 -164507.05 200000.00 T= 9666.32 K
2021-05-07 22:52:28,913 INFO - step #52 R -489437.11 -539640.03 -149797.07 200000.00 T= 9616.47 K
2021-05-07 22:52:29,219 INFO - step #53 R -558105.83 -564341.86 -153763.97 160000.00 T= 9566.63 K
2021-05-07 22:52:29,683 INFO - step #54 R -549778.25 -593752.90 -156025.35 200000.00 T= 9466.93 K
2021-05-07 22:52:30,717 INFO - step #55 R -588520.73 -584005.35 -164515.38 160000.00 T= 9217.69 K
2021-05-07 22:52:31,018 INFO - step #56 R -563669.94 -569905.97 -153763.97 160000.00 T= 9167.85 K
2021-05-07 22:52:31,543 INFO - step #57 T -587630.49 -622637.49 -164992.99 200000.00 T= 9118.00 K
2021-05-07 22:52:32,639 INFO - step #58 T -484581.63 -543629.88 -140951.75 200000.00 T= 8968.46 K
2021-05-07 22:52:33,171 INFO - step #59 R -569484.72 -612103.34 -157381.38 200000.00 T= 8868.76 K
2021-05-07 22:52:33,480 INFO - step #60 R -545657.15 -635047.80 -150609.35 240000.00 T= 8818.92 K
2021-05-07 22:52:34,096 INFO - step #61 T -547945.84 -565974.20 -141971.64 160000.00 T= 8719.22 K
2021-05-07 22:52:34,717 INFO - step #62 R -548813.59 -561550.30 -147263.30 160000.00 T= 8619.53 K
2021-05-07 22:52:36,393 INFO - step #63 T -584228.90 -596384.19 -147844.71 160000.00 T= 8320.44 K
2021-05-07 22:52:37,315 INFO - step #64 T -577120.36 -621769.18 -155351.18 200000.00 T= 8170.90 K
2021-05-07 22:52:38,270 INFO - step #65 T -496000.97 -521663.40 -134337.57 160000.00 T= 8121.05 K
2021-05-07 22:52:38,666 INFO - step #66 T -592625.25 -637581.41 -155043.84 200000.00 T= 8071.20 K
2021-05-07 22:52:39,456 INFO - step #67 T -586142.81 -596904.17 -149238.64 160000.00 T= 7921.66 K
2021-05-07 22:52:39,897 INFO - step #68 T -529069.78 -548132.85 -140936.93 160000.00 T= 7871.81 K
2021-05-07 22:52:40,354 INFO - step #69 R -542451.20 -560149.56 -142301.64 160000.00 T= 7772.12 K
2021-05-07 22:52:42,410 INFO - step #70 T -580820.05 -624759.54 -156060.51 200000.00 T= 7423.19 K
2021-05-07 22:52:42,837 INFO - step #71 R -485589.85 -612984.70 -152605.15 280000.00 T= 7373.34 K
2021-05-07 22:52:43,887 INFO - step #72 R -497106.79 -624006.11 -153100.68 280000.00 T= 7223.80 K
2021-05-07 22:52:45,146 INFO - step #73 T -565191.57 -653860.25 -191331.32 280000.00 T= 7074.25 K
2021-05-07 22:52:45,604 INFO - step #74 R -375462.79 -627446.98 -188015.80 440000.00 T= 7024.41 K
2021-05-07 22:52:46,591 INFO - step #75 R -423301.83 -659323.06 -163978.77 400000.00 T= 6825.02 K
2021-05-07 22:52:47,391 INFO - step #76 R -433389.24 -670563.72 -162825.52 400000.00 T= 6625.63 K
2021-05-07 22:52:47,822 INFO - step #77 R -585197.52 -615052.50 -170145.03 200000.00 T= 6575.78 K
2021-05-07 22:52:48,310 INFO - step #78 R -597071.56 -627024.45 -170047.11 200000.00 T= 6525.93 K
2021-05-07 22:52:48,897 INFO - step #79 T -578243.62 -623038.24 -155205.39 200000.00 T= 6476.08 K
2021-05-07 22:52:49,197 INFO - step #80 T -550877.11 -592584.79 -158292.33 200000.00 T= 6426.24 K
2021-05-07 22:52:50,708 INFO - step #81 R -501312.60 -555789.86 -145522.73 200000.00 T= 6326.54 K
2021-05-07 22:52:51,537 INFO - step #82 R -539950.11 -587939.18 -152010.92 200000.00 T= 6177.00 K
2021-05-07 22:52:51,835 INFO - step #83 R -488682.81 -547403.34 -141279.47 200000.00 T= 6127.15 K
2021-05-07 22:52:52,834 INFO - step #84 T -576512.36 -612694.18 -163818.18 200000.00 T= 5977.61 K
2021-05-07 22:52:53,765 INFO - step #85 R -568472.28 -604903.69 -163568.59 200000.00 T= 5778.22 K
2021-05-07 22:52:55,220 INFO - step #86 T -626544.94 -695477.63 -171067.32 240000.00 T= 5578.83 K
2021-05-07 22:52:56,737 INFO - step #87 R -586919.68 -656140.66 -170779.02 240000.00 T= 5329.59 K
2021-05-07 22:52:58,298 INFO - step #88 R -636084.24 -664382.15 -171702.09 200000.00 T= 4980.66 K
2021-05-07 22:52:59,247 INFO - step #89 R -633431.64 -661729.56 -171702.09 200000.00 T= 4831.12 K
2021-05-07 22:52:59,711 INFO - step #90 R -641090.72 -670928.46 -170162.26 200000.00 T= 4781.27 K
2021-05-07 22:53:00,492 INFO - step #91 R -660651.90 -678181.68 -182470.23 200000.00 T= 4681.58 K
2021-05-07 22:53:01,547 INFO - step #92 R -594509.87 -655696.37 -178813.50 240000.00 T= 4482.19 K
2021-05-07 22:53:02,546 INFO - step #93 R -663812.16 -719464.11 -184348.05 240000.00 T= 4232.95 K
2021-05-07 22:53:02,991 INFO - step #94 R -627043.88 -721167.23 -185876.65 280000.00 T= 4183.10 K
2021-05-07 22:53:04,418 INFO - step #95 R -668786.99 -688192.73 -180594.26 200000.00 T= 3884.02 K
2021-05-07 22:53:06,178 INFO - step #96 R -609096.29 -669487.44 -179608.85 240000.00 T= 3435.39 K
2021-05-07 22:53:11,970 INFO - step #97 T -623672.67 -686349.92 -177322.76 240000.00 T= 2189.20 K
2021-05-07 22:53:17,760 INFO - step #98 T -609949.05 -676373.67 -173575.37 240000.00 T= 793.47 K
2021-05-07 22:53:18,649 INFO - step #99 R -616166.11 -680776.50 -175389.62 240000.00 T= 643.93 K
2021-05-07 22:53:19,644 INFO - step #100 R -613411.55 -679167.16 -174244.39 240000.00 T= 444.54 K
2021-05-07 22:53:24,951 INFO - save short traj
2021-05-07 22:53:25,111 INFO - save best.pdb
2021-05-07 22:53:25,153 INFO - save plot e_step.png
2021-05-07 22:53:25,728 INFO - done
2021-05-07 22:53:27,247 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_5796/prot-na_5796.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2021-05-07 22:53:28,887 INFO - step #1 T -199679.66 -691110.17 -188569.49 680000.00 T= 15000.00 K
2021-05-07 22:53:29,221 INFO - step #2 R -194992.80 -757572.55 -197420.24 760000.00 T= 14950.15 K
2021-05-07 22:53:30,269 INFO - step #3 T -201396.18 -785404.98 -215991.20 800000.00 T= 14800.61 K
2021-05-07 22:53:31,395 INFO - step #4 R -366702.70 -751643.15 -215059.55 600000.00 T= 14601.22 K
2021-05-07 22:53:32,101 INFO - step #5 T -289224.04 -696911.07 -192312.97 600000.00 T= 14451.68 K
2021-05-07 22:53:33,090 INFO - step #6 T -389132.11 -658783.64 -210348.47 480000.00 T= 14252.29 K
2021-05-07 22:53:33,395 INFO - step #7 R -338143.42 -634058.61 -184084.81 480000.00 T= 14202.44 K
2021-05-07 22:53:33,705 INFO - step #8 R -344272.62 -635701.97 -188570.65 480000.00 T= 14152.59 K
2021-05-07 22:53:34,867 INFO - step #9 R -378773.40 -715572.03 -223201.37 560000.00 T= 13853.51 K
2021-05-07 22:53:35,183 INFO - step #10 R -349873.32 -726151.29 -223722.03 600000.00 T= 13803.66 K
2021-05-07 22:53:35,627 INFO - step #11 T -455192.47 -717745.95 -217446.52 480000.00 T= 13753.81 K
2021-05-07 22:53:36,063 INFO - step #12 R -485575.14 -744723.13 -220852.02 480000.00 T= 13703.97 K
2021-05-07 22:53:36,378 INFO - step #13 R -681054.29 -717228.00 -203826.29 240000.00 T= 13654.12 K
2021-05-07 22:53:37,375 INFO - step #14 T -638805.60 -718179.35 -200626.25 280000.00 T= 13404.88 K
2021-05-07 22:53:37,682 INFO - step #15 R -533570.33 -649828.63 -203741.70 320000.00 T= 13355.03 K
2021-05-07 22:53:38,060 INFO - step #16 T -495385.68 -606789.05 -168596.64 280000.00 T= 13305.19 K
2021-05-07 22:53:38,365 INFO - step #17 T -447444.81 -589128.28 -178316.52 320000.00 T= 13255.34 K
2021-05-07 22:53:38,859 INFO - step #18 R -439111.57 -584498.31 -174613.26 320000.00 T= 13205.49 K
2021-05-07 22:53:39,455 INFO - step #19 T -449427.17 -601451.92 -167975.25 320000.00 T= 13155.64 K
2021-05-07 22:53:40,530 INFO - step #20 R -508666.09 -551889.86 -156776.23 200000.00 T= 12956.25 K
2021-05-07 22:53:41,192 INFO - step #21 T -294081.50 -564075.72 -170005.78 440000.00 T= 12856.56 K
2021-05-07 22:53:41,660 INFO - step #22 R -460797.19 -570985.86 -169811.34 280000.00 T= 12756.86 K
2021-05-07 22:53:41,972 INFO - step #23 R -530016.23 -640988.14 -169028.09 280000.00 T= 12707.02 K
2021-05-07 22:53:42,920 INFO - step #24 R -665007.58 -680201.70 -184805.89 200000.00 T= 12457.78 K
2021-05-07 22:53:43,445 INFO - step #25 T -637803.34 -702576.99 -175226.35 240000.00 T= 12407.93 K
2021-05-07 22:53:43,886 INFO - step #26 R -644322.11 -707731.06 -176591.05 240000.00 T= 12358.08 K
2021-05-07 22:53:45,060 INFO - step #27 R -443763.91 -594466.71 -169297.19 320000.00 T= 12158.69 K
2021-05-07 22:53:45,509 INFO - step #28 R -524008.58 -631570.79 -172437.79 280000.00 T= 12108.85 K
2021-05-07 22:53:46,269 INFO - step #29 R -444649.21 -601167.22 -163481.99 320000.00 T= 11959.31 K
2021-05-07 22:53:47,385 INFO - step #30 R -695531.93 -721609.37 -173922.56 200000.00 T= 11710.07 K
2021-05-07 22:53:48,492 INFO - step #31 R -651751.37 -707528.00 -184223.37 240000.00 T= 11460.83 K
2021-05-07 22:53:49,582 INFO - step #32 R -639615.96 -697529.18 -182086.79 240000.00 T= 11261.44 K
2021-05-07 22:53:51,448 INFO - step #33 T -736392.19 -739592.94 -196799.25 200000.00 T= 10812.81 K
2021-05-07 22:53:51,752 INFO - step #34 R -634515.55 -692973.96 -181541.59 240000.00 T= 10762.97 K
2021-05-07 22:53:52,056 INFO - step #35 R -613295.24 -667169.91 -186125.33 240000.00 T= 10713.12 K
2021-05-07 22:53:52,365 INFO - step #36 R -622401.61 -671613.70 -190787.91 240000.00 T= 10663.27 K
2021-05-07 22:53:53,999 INFO - step #37 R -482784.78 -629754.67 -173030.11 320000.00 T= 10264.49 K
2021-05-07 22:53:54,312 INFO - step #38 T -585924.42 -654444.94 -171479.47 240000.00 T= 10214.64 K
2021-05-07 22:53:54,622 INFO - step #39 T -431528.94 -655605.49 -175923.45 400000.00 T= 10164.80 K
2021-05-07 22:53:55,108 INFO - step #40 T -564107.59 -633631.47 -170476.12 240000.00 T= 10065.10 K
2021-05-07 22:53:56,183 INFO - step #41 R -556443.63 -625773.88 -170669.75 240000.00 T= 9965.41 K
2021-05-07 22:53:56,773 INFO - step #42 R -604493.35 -671410.93 -173082.42 240000.00 T= 9915.56 K
2021-05-07 22:53:57,748 INFO - step #43 R -619934.17 -648493.95 -171440.22 200000.00 T= 9716.17 K
2021-05-07 22:53:58,302 INFO - step #44 R -591404.02 -697024.21 -174379.81 280000.00 T= 9666.32 K
2021-05-07 22:53:59,176 INFO - step #45 R -392272.05 -627497.76 -164774.29 400000.00 T= 9566.63 K
2021-05-07 22:53:59,527 INFO - step #46 R -463325.21 -596157.52 -147167.69 280000.00 T= 9516.78 K
2021-05-07 22:54:00,143 INFO - step #47 R -472475.55 -625533.95 -166941.60 320000.00 T= 9417.08 K
2021-05-07 22:54:01,716 INFO - step #48 T -231125.14 -562083.74 -149041.40 480000.00 T= 9118.00 K
2021-05-07 22:54:02,021 INFO - step #49 T -415763.83 -611834.88 -163928.95 360000.00 T= 9068.15 K
2021-05-07 22:54:02,326 INFO - step #50 T -432487.94 -644242.42 -188245.52 400000.00 T= 9018.31 K
2021-05-07 22:54:02,630 INFO - step #51 R -477236.05 -653102.38 -184133.67 360000.00 T= 8968.46 K
2021-05-07 22:54:03,483 INFO - step #52 R -476659.47 -650032.70 -186626.77 360000.00 T= 8918.61 K
2021-05-07 22:54:04,681 INFO - step #53 R -478888.29 -651877.06 -187011.22 360000.00 T= 8719.22 K
2021-05-07 22:54:05,269 INFO - step #54 R -474656.24 -647645.01 -187011.22 360000.00 T= 8669.37 K
2021-05-07 22:54:05,577 INFO - step #55 T -629853.99 -624063.35 -165790.64 160000.00 T= 8619.53 K
2021-05-07 22:54:06,405 INFO - step #56 T -466471.72 -646409.39 -180062.33 360000.00 T= 8519.83 K
2021-05-07 22:54:06,780 INFO - step #57 R -535846.51 -696304.25 -199542.26 360000.00 T= 8469.98 K
2021-05-07 22:54:07,607 INFO - step #58 R -709695.59 -684506.80 -185188.79 160000.00 T= 8320.44 K
2021-05-07 22:54:09,225 INFO - step #59 T -638468.79 -649653.24 -188815.56 200000.00 T= 8021.36 K
2021-05-07 22:54:09,725 INFO - step #60 R -413027.37 -702910.57 -190116.80 480000.00 T= 7971.51 K
2021-05-07 22:54:10,380 INFO - step #61 T -424596.88 -682817.04 -181779.84 440000.00 T= 7821.97 K
2021-05-07 22:54:10,696 INFO - step #62 T -596130.43 -745683.57 -170446.86 320000.00 T= 7772.12 K
2021-05-07 22:54:12,117 INFO - step #63 T -662989.36 -728511.48 -174477.89 240000.00 T= 7522.88 K
2021-05-07 22:54:12,866 INFO - step #64 R -684953.51 -741901.90 -183051.61 240000.00 T= 7373.34 K
2021-05-07 22:54:13,508 INFO - step #65 R -554326.42 -736902.90 -177423.53 360000.00 T= 7223.80 K
2021-05-07 22:54:14,375 INFO - step #66 R -687175.72 -744034.10 -183141.62 240000.00 T= 7173.95 K
2021-05-07 22:54:16,574 INFO - step #67 R -682290.09 -739238.47 -183051.61 240000.00 T= 6675.47 K
2021-05-07 22:54:17,685 INFO - step #68 R -718494.07 -741074.58 -177419.49 200000.00 T= 6525.93 K
2021-05-07 22:54:18,836 INFO - step #69 R -716443.70 -739990.64 -176453.06 200000.00 T= 6226.85 K
2021-05-07 22:54:23,109 INFO - step #70 R -715101.45 -734573.52 -180527.93 200000.00 T= 5080.36 K
2021-05-07 22:54:24,588 INFO - step #71 T -704478.66 -723309.16 -181169.50 200000.00 T= 4731.42 K
2021-05-07 22:54:27,055 INFO - step #72 R -776234.40 -748004.53 -188229.87 160000.00 T= 4083.41 K
2021-05-07 22:54:29,616 INFO - step #73 T -679391.71 -737656.86 -181734.84 240000.00 T= 3385.54 K
2021-05-07 22:54:30,103 INFO - step #74 R -683628.70 -732885.38 -190743.32 240000.00 T= 3285.85 K
2021-05-07 22:54:32,888 INFO - step #75 R -687678.86 -739146.70 -188532.15 240000.00 T= 2587.98 K
2021-05-07 22:54:43,281 INFO - save short traj
2021-05-07 22:54:43,446 INFO - save best.pdb
2021-05-07 22:54:43,486 INFO - save plot e_step.png
2021-05-07 22:54:44,059 INFO - done