Hi Here is my .out file. atoms 366 and 368 are two atoms inside the protein. What is other possible way to solve it ?
Thank you Lin relative constraint deviation after LINCS: max 597108032.000000 (between atoms 366 and 368) rms 26394490.000000 bonds that rotated more than 30 degrees: atom 1 atom 2 angle previous, current, constraint length 26 39 52.0 0.1530 0.1699 0.1530 39 40 69.4 0.1230 0.1423 0.1230 39 41 40.7 0.1330 0.1502 0.1330 75 76 36.0 0.1250 0.1252 0.1250 133 134 69.5 0.1530 0.1937 0.1530 134 135 89.8 0.1470 0.2036 0.1470 344 346 42.4 0.1470 0.2090 0.1470 346 347 42.2 0.1530 0.2141 0.1530 346 359 63.9 0.1530 26006.0332 0.1530 359 360 56.9 0.1230 26006.0469 0.1230 359 361 83.2 0.1330 82898.5859 0.1330 361 362 77.5 0.1000 82845.7109 0.1000 361 363 83.8 0.1470 398710.1875 0.1470 363 364 89.3 0.1530 1909291.8750 0.1530 363 369 85.2 0.1530 393002.8125 0.1530 364 365 90.0 0.1508 31146174.0000 0.1530 365 366 90.2 0.1544 66925512.0000 0.1530 366 367 92.7 0.1301 73689816.0000 0.1250 366 368 87.0 0.1305 74638504.0000 0.1250 369 370 72.1 0.1230 65978.3203 0.1230 369 371 72.6 0.1330 66864.2812 0.1330 371 372 85.7 0.1000 10685.0596 0.1000 371 373 61.0 0.1470 10685.1035 0.1470 373 374 33.3 0.1530 0.1896 0.1530
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