***  lmt  ***
Job options:
ID = 210212105124145329
JOBID = lmt
USERID = unknown
PRIVAT = 0
NMODES = 5
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
HEADER lmt
ATOM 1 C6' LMT X 1 3.202 2.777 -0.663 1.00146.12 C
ATOM 2 O6' LMT X 1 3.731 3.284 0.531 1.00146.37 O
ATOM 3 C5' LMT X 1 1.716 2.550 -0.402 1.00148.48 C
ATOM 4 O5' LMT X 1 1.561 1.700 0.706 1.00150.34 O
ATOM 5 C4' LMT X 1 1.038 3.893 -0.022 1.00148.40 C
ATOM 6 O4' LMT X 1 -0.994 9.531 0.401 1.00159.59 O
ATOM 7 C3' LMT X 1 -0.454 3.608 0.419 1.00144.52 C
ATOM 8 O3' LMT X 1 -0.894 4.700 1.162 1.00141.72 O
ATOM 9 C2' LMT X 1 -0.519 2.435 1.398 1.00145.49 C
ATOM 10 O2' LMT X 1 -1.880 2.133 1.477 1.00148.01 O
ATOM 11 C1' LMT X 1 0.218 1.319 0.712 1.00143.84 C
ATOM 12 O1' LMT X 1 0.134 0.191 1.530 1.00134.55 O
ATOM 13 C1 LMT X 1 0.564 -0.928 0.788 1.00125.57 C
ATOM 14 C1B LMT X 1 0.722 6.119 -1.020 1.00159.14 C
ATOM 15 O1B LMT X 1 0.989 4.699 -1.199 1.00153.75 O
ATOM 16 C2 LMT X 1 -0.428 -1.175 -0.340 1.00119.40 C
ATOM 17 C2B LMT X 1 1.330 6.802 0.280 1.00159.25 C
ATOM 18 O2B LMT X 1 0.817 6.342 1.507 1.00159.92 O
ATOM 19 C3 LMT X 1 -1.555 -2.019 0.244 1.00117.14 C
ATOM 20 C3B LMT X 1 1.047 8.318 0.249 1.00158.22 C
ATOM 21 O3B LMT X 1 1.957 8.951 -0.600 1.00156.38 O
ATOM 22 C4 LMT X 1 -0.968 -3.233 0.951 1.00116.25 C
ATOM 23 C4B LMT X 1 -0.346 8.591 -0.403 1.00159.36 C
ATOM 24 C5 LMT X 1 -1.734 -4.477 0.559 1.00115.76 C
ATOM 25 C5B LMT X 1 -1.251 7.332 -0.354 1.00158.81 C
ATOM 26 O5B LMT X 1 -0.687 6.320 -1.180 1.00161.34 O
ATOM 27 C6 LMT X 1 -1.009 -5.217 -0.550 1.00117.04 C
ATOM 28 C6B LMT X 1 -2.662 7.676 -0.822 1.00154.00 C
ATOM 29 O6B LMT X 1 -3.312 6.462 -1.065 1.00150.83 O
ATOM 30 C7 LMT X 1 -0.488 -6.524 0.023 1.00116.96 C
ATOM 31 C8 LMT X 1 -0.701 -7.646 -0.976 1.00115.15 C
ATOM 32 C9 LMT X 1 -0.803 -8.973 -0.246 1.00113.95 C
ATOM 33 C10 LMT X 1 0.566 -9.606 -0.077 1.00112.83 C
ATOM 34 C11 LMT X 1 0.542 -11.042 -0.582 1.00109.89 C
ATOM 35 C12 LMT X 1 1.531 -11.891 0.193 1.00106.60 C
ATOM 36 H01 LMT X 1 3.701 1.854 -0.960 1.00146.12 H
ATOM 37 H02 LMT X 1 3.339 3.493 -1.473 1.00146.12 H
ATOM 38 H03 LMT X 1 4.657 3.504 0.403 1.00146.37 H
ATOM 39 H04 LMT X 1 1.271 2.123 -1.300 1.00148.48 H
ATOM 40 H05 LMT X 1 1.588 4.384 0.782 1.00148.40 H
ATOM 41 H06 LMT X 1 -0.411 9.800 1.114 1.00159.59 H
ATOM 42 H07 LMT X 1 -1.040 3.409 -0.477 1.00144.52 H
ATOM 43 H08 LMT X 1 -0.188 4.999 1.740 1.00141.72 H
ATOM 44 H09 LMT X 1 -0.100 2.618 2.387 1.00145.49 H
ATOM 45 H10 LMT X 1 -2.248 2.077 0.592 1.00148.01 H
ATOM 46 H11 LMT X 1 -0.176 1.119 -0.284 1.00143.84 H
ATOM 47 H12 LMT X 1 0.617 -1.805 1.434 1.00125.57 H
ATOM 48 H13 LMT X 1 1.552 -0.737 0.373 1.00125.57 H
ATOM 49 H14 LMT X 1 1.274 6.655 -1.791 1.00159.14 H
ATOM 50 H15 LMT X 1 0.050 -1.684 -1.177 1.00119.40 H
ATOM 51 H16 LMT X 1 -0.821 -0.228 -0.710 1.00119.40 H
ATOM 52 H17 LMT X 1 2.388 6.544 0.242 1.00159.25 H
ATOM 53 H18 LMT X 1 -0.142 6.368 1.484 1.00159.92 H
ATOM 54 H19 LMT X 1 -2.213 -2.351 -0.559 1.00117.14 H
ATOM 55 H20 LMT X 1 -2.124 -1.423 0.957 1.00117.14 H
ATOM 56 H21 LMT X 1 1.105 8.680 1.275 1.00158.22 H
ATOM 57 H22 LMT X 1 1.574 9.031 -1.478 1.00156.38 H
ATOM 58 H23 LMT X 1 -1.044 -3.091 2.029 1.00116.25 H
ATOM 59 H24 LMT X 1 0.078 -3.347 0.667 1.00116.25 H
ATOM 60 H25 LMT X 1 -0.189 8.907 -1.434 1.00159.36 H
ATOM 61 H26 LMT X 1 -2.722 -4.187 0.202 1.00115.76 H
ATOM 62 H27 LMT X 1 -1.827 -5.131 1.426 1.00115.76 H
ATOM 63 H28 LMT X 1 -1.314 6.969 0.672 1.00158.81 H
ATOM 64 H29 LMT X 1 -0.184 -4.616 -0.932 1.00117.04 H
ATOM 65 H30 LMT X 1 -1.695 -5.420 -1.372 1.00117.04 H
ATOM 66 H31 LMT X 1 -2.638 8.294 -1.720 1.00154.00 H
ATOM 67 H32 LMT X 1 -3.189 8.237 -0.050 1.00154.00 H
ATOM 68 H33 LMT X 1 -3.104 6.159 -1.952 1.00150.83 H
ATOM 69 H34 LMT X 1 -1.029 -6.753 0.941 1.00116.96 H
ATOM 70 H35 LMT X 1 0.575 -6.426 0.237 1.00116.96 H
ATOM 71 H36 LMT X 1 0.145 -7.679 -1.664 1.00115.15 H
ATOM 72 H37 LMT X 1 -1.620 -7.466 -1.532 1.00115.15 H
ATOM 73 H38 LMT X 1 -1.428 -9.645 -0.834 1.00113.95 H
ATOM 74 H39 LMT X 1 -1.244 -8.807 0.737 1.00113.95 H
ATOM 75 H40 LMT X 1 0.833 -9.604 0.980 1.00112.83 H
ATOM 76 H41 LMT X 1 1.301 -9.036 -0.645 1.00112.83 H
ATOM 77 H42 LMT X 1 0.820 -11.050 -1.636 1.00109.89 H
ATOM 78 H43 LMT X 1 -0.460 -11.452 -0.456 1.00109.89 H
ATOM 79 H44 LMT X 1 1.638 -12.860 -0.296 1.00106.60 H
ATOM 80 H45 LMT X 1 2.499 -11.390 0.220 1.00106.60 H
ATOM 81 H46 LMT X 1 1.167 -12.037 1.210 1.00106.60 H
END
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.
|