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Job options:
ID = 220816185319122050
JOBID =
USERID = unknown
PRIVAT = 0
NMODES = 5
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = on
DORMSD = on
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
TITLE 5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3' t= 373000.00000 step= 186500000
REMARK THIS IS A SIMULATION BOX
CRYST1 52.804 52.804 52.804 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 BB2 C 401 36.200 15.500 19.200 1.00 0.00
ATOM 2 BB3 C 401 34.200 14.200 18.900 1.00 0.00
ATOM 3 CSC1 C 401 36.900 14.700 20.700 1.00 0.00
ATOM 4 CSC2 C 401 36.600 12.600 21.600 1.00 0.00
ATOM 5 CSC3 C 401 38.000 14.600 23.200 1.00 0.00
ATOM 6 BB1 G 402 31.500 16.300 19.300 1.00 0.00
ATOM 7 BB2 G 402 32.300 13.900 22.800 1.00 0.00
ATOM 8 BB3 G 402 30.200 13.600 23.700 1.00 0.00
ATOM 9 GSC1 G 402 33.600 14.200 24.500 1.00 0.00
ATOM 10 GSC2 G 402 34.900 13.100 26.900 1.00 0.00
ATOM 11 GSC3 G 402 36.100 15.600 26.200 1.00 0.00
ATOM 12 GSC4 G 402 34.200 15.600 23.900 1.00 0.00
ATOM 13 BB1 U 403 27.600 15.800 23.400 1.00 0.00
ATOM 14 BB2 U 403 29.500 15.800 26.700 1.00 0.00
ATOM 15 BB3 U 403 28.100 16.700 28.400 1.00 0.00
ATOM 16 USC1 U 403 30.900 17.000 26.800 1.00 0.00
ATOM 17 USC2 U 403 32.500 17.400 28.500 1.00 0.00
ATOM 18 USC3 U 403 33.100 18.200 25.800 1.00 0.00
ATOM 19 BB1 G 404 25.100 17.800 26.700 1.00 0.00
ATOM 20 BB2 G 404 26.800 19.500 29.700 1.00 0.00
ATOM 21 BB3 G 404 25.300 20.800 31.000 1.00 0.00
ATOM 22 GSC1 G 404 28.600 20.600 29.700 1.00 0.00
ATOM 23 GSC2 G 404 31.100 20.200 31.300 1.00 0.00
ATOM 24 GSC3 G 404 31.900 20.800 28.500 1.00 0.00
ATOM 25 GSC4 G 404 28.900 20.900 28.100 1.00 0.00
ATOM 26 BB1 A 405 23.000 22.800 30.700 1.00 0.00
ATOM 27 BB2 A 405 26.100 24.200 33.100 1.00 0.00
ATOM 28 BB3 A 405 25.200 25.900 34.400 1.00 0.00
ATOM 29 ASC1 A 405 28.000 24.800 32.400 1.00 0.00
ATOM 30 ASC2 A 405 30.300 24.100 32.900 1.00 0.00
ATOM 31 ASC3 A 405 30.600 24.500 30.200 1.00 0.00
ATOM 32 ASC4 A 405 27.800 25.300 30.900 1.00 0.00
ATOM 33 BB1 C 406 22.200 27.400 33.400 1.00 0.00
ATOM 34 BB2 C 406 25.000 28.300 31.000 1.00 0.00
ATOM 35 BB3 C 406 26.000 30.500 30.600 1.00 0.00
ATOM 36 CSC1 C 406 24.900 27.600 29.400 1.00 0.00
ATOM 37 CSC2 C 406 26.100 27.800 27.400 1.00 0.00
ATOM 38 CSC3 C 406 23.600 26.200 27.300 1.00 0.00
ATOM 39 BB1 U 407 23.900 33.200 30.800 1.00 0.00
ATOM 40 BB2 U 407 22.700 30.800 28.200 1.00 0.00
ATOM 41 BB3 U 407 21.800 31.700 26.200 1.00 0.00
ATOM 42 USC1 U 407 21.400 29.800 28.800 1.00 0.00
ATOM 43 USC2 U 407 19.700 28.700 27.700 1.00 0.00
ATOM 44 USC3 U 407 19.700 28.600 30.600 1.00 0.00
ATOM 45 BB1 C 408 20.500 34.200 25.100 1.00 0.00
ATOM 46 BB2 C 408 18.200 32.100 27.400 1.00 0.00
ATOM 47 BB3 C 408 15.800 32.600 27.300 1.00 0.00
ATOM 48 CSC1 C 408 18.400 32.100 29.200 1.00 0.00
ATOM 49 CSC2 C 408 17.300 31.100 30.900 1.00 0.00
ATOM 50 CSC3 C 408 20.000 32.300 31.300 1.00 0.00
ATOM 51 BB1 U 409 15.200 35.800 25.600 1.00 0.00
ATOM 52 BB2 U 409 17.400 37.100 29.000 1.00 0.00
ATOM 53 BB3 U 409 16.800 39.500 28.300 1.00 0.00
ATOM 54 USC1 U 409 19.300 37.300 28.800 1.00 0.00
ATOM 55 USC2 U 409 20.800 39.000 29.200 1.00 0.00
ATOM 56 USC3 U 409 21.800 36.500 28.500 1.00 0.00
TER
ENDMDL
A second structure was input as follows:
TITLE Martini system from 1si3.gro t= 4000.00000 step= 200000
REMARK THIS IS A SIMULATION BOX
CRYST1 52.523 52.523 52.523 60.00 60.00 90.00 P 1 1
MODEL 1
ATOM 1 BB2 C 1 37.500 41.700 25.400 1.00 0.00
ATOM 2 BB3 C 1 36.500 40.000 25.300 1.00 0.00
ATOM 3 SC1 C 1 38.500 38.300 25.000 1.00 0.00
ATOM 4 SC2 C 1 38.000 38.300 22.800 1.00 0.00
ATOM 5 SC3 C 1 39.900 36.500 23.700 1.00 0.00
ATOM 6 BB1 G 2 35.900 39.700 28.900 1.00 0.00
ATOM 7 BB2 G 2 37.400 36.700 29.400 1.00 0.00
ATOM 8 BB3 G 2 39.400 36.200 29.000 1.00 0.00
ATOM 9 SC1 G 2 39.400 33.700 27.900 1.00 0.00
ATOM 10 SC2 G 2 40.500 33.500 25.200 1.00 0.00
ATOM 11 SC3 G 2 40.900 30.900 26.500 1.00 0.00
ATOM 12 SC4 G 2 39.800 32.400 28.800 1.00 0.00
ATOM 13 BB1 U 3 40.800 39.000 30.200 1.00 0.00
ATOM 14 BB2 U 3 43.000 40.500 27.900 1.00 0.00
ATOM 15 BB3 U 3 42.300 41.500 26.400 1.00 0.00
ATOM 16 SC1 U 3 42.100 39.400 24.600 1.00 0.00
ATOM 17 SC2 U 3 43.900 40.100 23.500 1.00 0.00
ATOM 18 SC3 U 3 43.400 37.300 23.500 1.00 0.00
ATOM 19 BB1 G 4 43.300 44.900 27.000 1.00 0.00
ATOM 20 BB2 G 4 44.000 44.600 23.800 1.00 0.00
ATOM 21 BB3 G 4 42.500 45.000 22.100 1.00 0.00
ATOM 22 SC1 G 4 41.700 42.200 21.700 1.00 0.00
ATOM 23 SC2 G 4 43.300 40.200 20.200 1.00 0.00
ATOM 24 SC3 G 4 41.200 38.700 21.500 1.00 0.00
ATOM 25 SC4 G 4 40.500 41.400 22.400 1.00 0.00
ATOM 26 BB1 A 5 43.900 47.800 20.800 1.00 0.00
ATOM 27 BB2 A 5 45.000 44.600 19.100 1.00 0.00
ATOM 28 BB3 A 5 44.200 43.900 17.200 1.00 0.00
ATOM 29 SC1 A 5 41.800 42.500 17.800 1.00 0.00
ATOM 30 SC2 A 5 41.300 40.200 17.500 1.00 0.00
ATOM 31 SC3 A 5 39.200 40.700 19.200 1.00 0.00
ATOM 32 SC4 A 5 40.600 43.300 18.600 1.00 0.00
ATOM 33 BB1 C 6 46.500 45.400 15.400 1.00 0.00
ATOM 34 BB2 C 6 43.400 45.600 13.600 1.00 0.00
ATOM 35 BB3 C 6 42.200 44.200 12.800 1.00 0.00
ATOM 36 SC1 C 6 40.100 44.000 14.500 1.00 0.00
ATOM 37 SC2 C 6 40.000 41.800 14.200 1.00 0.00
ATOM 38 SC3 C 6 38.200 43.000 16.000 1.00 0.00
ATOM 39 BB1 U 7 42.200 44.400 9.500 1.00 0.00
ATOM 40 BB2 U 7 38.600 43.500 10.200 1.00 0.00
ATOM 41 BB3 U 7 37.900 41.700 9.900 1.00 0.00
ATOM 42 SC1 U 7 37.000 41.400 12.400 1.00 0.00
ATOM 43 SC2 U 7 35.500 39.900 12.100 1.00 0.00
ATOM 44 SC3 U 7 36.500 40.000 14.800 1.00 0.00
ATOM 45 BB1 C 8 35.800 42.500 6.900 1.00 0.00
ATOM 46 BB2 C 8 32.700 42.400 9.500 1.00 0.00
ATOM 47 BB3 C 8 32.300 43.800 10.800 1.00 0.00
ATOM 48 SC1 C 8 34.000 42.900 12.500 1.00 0.00
ATOM 49 SC2 C 8 32.700 41.600 13.900 1.00 0.00
ATOM 50 SC3 C 8 34.700 43.100 15.100 1.00 0.00
ATOM 51 BB1 U 9 34.900 46.400 10.000 1.00 0.00
ATOM 52 BB2 U 9 37.000 46.700 12.500 1.00 0.00
ATOM 53 BB3 U 9 36.500 47.000 14.500 1.00 0.00
ATOM 54 SC1 U 9 39.100 47.100 15.100 1.00 0.00
ATOM 55 SC2 U 9 38.800 46.000 17.100 1.00 0.00
ATOM 56 SC3 U 9 41.200 47.500 17.000 1.00 0.00
TER
ENDMDL
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.
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