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Job options:
ID = 220816184928113727
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= 124000.00000 step= 62000000
REMARK THIS IS A SIMULATION BOX
CRYST1 52.802 52.802 52.802 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 BB2 C 401 25.800 21.500 37.900 1.00 0.00
ATOM 2 BB3 C 401 23.300 21.800 37.700 1.00 0.00
ATOM 3 CSC1 C 401 26.200 23.200 38.100 1.00 0.00
ATOM 4 CSC2 C 401 25.100 25.100 38.900 1.00 0.00
ATOM 5 CSC3 C 401 27.700 25.400 37.700 1.00 0.00
ATOM 6 BB1 G 402 22.100 21.800 34.500 1.00 0.00
ATOM 7 BB2 G 402 22.400 25.500 36.000 1.00 0.00
ATOM 8 BB3 G 402 20.900 26.800 35.300 1.00 0.00
ATOM 9 GSC1 G 402 24.100 26.800 35.500 1.00 0.00
ATOM 10 GSC2 G 402 25.300 29.600 35.200 1.00 0.00
ATOM 11 GSC3 G 402 27.200 27.600 34.200 1.00 0.00
ATOM 12 GSC4 G 402 25.100 25.600 35.100 1.00 0.00
ATOM 13 BB1 U 403 19.600 26.600 32.400 1.00 0.00
ATOM 14 BB2 U 403 22.600 28.900 32.000 1.00 0.00
ATOM 15 BB3 U 403 22.400 31.200 30.900 1.00 0.00
ATOM 16 USC1 U 403 24.300 28.500 31.700 1.00 0.00
ATOM 17 USC2 U 403 26.300 29.600 31.600 1.00 0.00
ATOM 18 USC3 U 403 26.400 26.700 31.200 1.00 0.00
ATOM 19 BB1 G 404 21.200 31.000 27.800 1.00 0.00
ATOM 20 BB2 G 404 25.300 30.500 28.000 1.00 0.00
ATOM 21 BB3 G 404 26.300 31.700 26.400 1.00 0.00
ATOM 22 GSC1 G 404 26.500 28.700 27.900 1.00 0.00
ATOM 23 GSC2 G 404 29.100 27.300 28.200 1.00 0.00
ATOM 24 GSC3 G 404 26.900 25.300 28.000 1.00 0.00
ATOM 25 GSC4 G 404 25.100 27.700 27.800 1.00 0.00
ATOM 26 BB1 A 405 25.600 32.100 23.300 1.00 0.00
ATOM 27 BB2 A 405 29.800 31.000 24.300 1.00 0.00
ATOM 28 BB3 A 405 31.100 31.700 22.800 1.00 0.00
ATOM 29 ASC1 A 405 31.000 29.300 25.000 1.00 0.00
ATOM 30 ASC2 A 405 33.200 28.500 25.300 1.00 0.00
ATOM 31 ASC3 A 405 31.900 26.100 25.500 1.00 0.00
ATOM 32 ASC4 A 405 29.800 28.200 24.900 1.00 0.00
ATOM 33 BB1 C 406 30.700 31.300 19.500 1.00 0.00
ATOM 34 BB2 C 406 29.900 32.000 16.500 1.00 0.00
ATOM 35 BB3 C 406 27.600 32.500 15.700 1.00 0.00
ATOM 36 CSC1 C 406 30.300 30.600 15.600 1.00 0.00
ATOM 37 CSC2 C 406 30.000 29.800 13.500 1.00 0.00
ATOM 38 CSC3 C 406 31.400 28.100 15.300 1.00 0.00
ATOM 39 BB1 U 407 25.100 31.700 17.700 1.00 0.00
ATOM 40 BB2 U 407 26.500 28.900 15.600 1.00 0.00
ATOM 41 BB3 U 407 25.000 27.100 14.900 1.00 0.00
ATOM 42 USC1 U 407 27.900 28.000 16.300 1.00 0.00
ATOM 43 USC2 U 407 28.500 25.800 16.000 1.00 0.00
ATOM 44 USC3 U 407 29.600 27.200 18.300 1.00 0.00
ATOM 45 BB1 C 408 22.300 26.200 16.500 1.00 0.00
ATOM 46 BB2 C 408 25.500 25.500 18.400 1.00 0.00
ATOM 47 BB3 C 408 25.100 23.700 20.000 1.00 0.00
ATOM 48 CSC1 C 408 26.300 26.700 19.500 1.00 0.00
ATOM 49 CSC2 C 408 27.700 26.500 21.300 1.00 0.00
ATOM 50 CSC3 C 408 26.700 29.200 20.600 1.00 0.00
ATOM 51 BB1 U 409 22.700 22.600 21.600 1.00 0.00
ATOM 52 BB2 U 409 23.300 25.500 23.800 1.00 0.00
ATOM 53 BB3 U 409 23.200 27.800 22.900 1.00 0.00
ATOM 54 USC1 U 409 25.000 25.400 24.400 1.00 0.00
ATOM 55 USC2 U 409 26.500 27.000 24.700 1.00 0.00
ATOM 56 USC3 U 409 27.400 24.200 24.500 1.00 0.00
TER
ENDMDL
A second structure was input as follows:
TITLE Martini system from 1si3.gro t= 8000.00000 step= 400000
REMARK THIS IS A SIMULATION BOX
CRYST1 52.472 52.472 52.472 60.00 60.00 90.00 P 1 1
MODEL 1
ATOM 1 BB2 C 1 39.700 43.300 19.600 1.00 0.00
ATOM 2 BB3 C 1 41.300 43.000 18.400 1.00 0.00
ATOM 3 SC1 C 1 41.400 40.400 19.300 1.00 0.00
ATOM 4 SC2 C 1 43.400 39.800 18.700 1.00 0.00
ATOM 5 SC3 C 1 41.700 37.700 19.300 1.00 0.00
ATOM 6 BB1 G 2 41.300 46.300 19.100 1.00 0.00
ATOM 7 BB2 G 2 44.800 45.200 18.900 1.00 0.00
ATOM 8 BB3 G 2 46.000 44.600 17.400 1.00 0.00
ATOM 9 SC1 G 2 46.400 41.800 18.400 1.00 0.00
ATOM 10 SC2 G 2 47.400 39.700 16.600 1.00 0.00
ATOM 11 SC3 G 2 47.000 38.600 19.300 1.00 0.00
ATOM 12 SC4 G 2 46.300 41.400 19.900 1.00 0.00
ATOM 13 BB1 U 3 43.900 45.600 14.700 1.00 0.00
ATOM 14 BB2 U 3 42.400 42.200 14.100 1.00 0.00
ATOM 15 BB3 U 3 44.000 41.000 13.300 1.00 0.00
ATOM 16 SC1 U 3 44.300 39.500 15.500 1.00 0.00
ATOM 17 SC2 U 3 44.600 37.700 14.200 1.00 0.00
ATOM 18 SC3 U 3 44.500 37.200 17.100 1.00 0.00
ATOM 19 BB1 G 4 43.800 41.000 10.000 1.00 0.00
ATOM 20 BB2 G 4 41.600 38.400 10.400 1.00 0.00
ATOM 21 BB3 G 4 39.600 38.700 10.600 1.00 0.00
ATOM 22 SC1 G 4 39.400 36.800 12.900 1.00 0.00
ATOM 23 SC2 G 4 37.000 36.200 14.500 1.00 0.00
ATOM 24 SC3 G 4 39.000 34.200 15.100 1.00 0.00
ATOM 25 SC4 G 4 40.700 36.100 13.700 1.00 0.00
ATOM 26 BB1 A 5 39.300 42.000 10.300 1.00 0.00
ATOM 27 BB2 A 5 38.000 41.100 13.800 1.00 0.00
ATOM 28 BB3 A 5 38.600 41.100 15.600 1.00 0.00
ATOM 29 SC1 A 5 39.800 38.700 16.400 1.00 0.00
ATOM 30 SC2 A 5 38.900 36.900 17.600 1.00 0.00
ATOM 31 SC3 A 5 41.100 35.600 17.100 1.00 0.00
ATOM 32 SC4 A 5 41.300 38.300 15.900 1.00 0.00
ATOM 33 BB1 C 6 35.700 43.000 16.400 1.00 0.00
ATOM 34 BB2 C 6 35.300 39.900 18.100 1.00 0.00
ATOM 35 BB3 C 6 34.200 38.500 17.200 1.00 0.00
ATOM 36 SC1 C 6 35.300 36.200 18.000 1.00 0.00
ATOM 37 SC2 C 6 34.500 34.900 16.500 1.00 0.00
ATOM 38 SC3 C 6 36.800 34.000 17.800 1.00 0.00
ATOM 39 BB1 U 7 31.300 39.300 19.000 1.00 0.00
ATOM 40 BB2 U 7 33.200 38.200 21.700 1.00 0.00
ATOM 41 BB3 U 7 33.000 36.600 23.100 1.00 0.00
ATOM 42 SC1 U 7 34.200 34.700 20.900 1.00 0.00
ATOM 43 SC2 U 7 35.000 33.100 22.200 1.00 0.00
ATOM 44 SC3 U 7 34.400 32.400 19.500 1.00 0.00
ATOM 45 BB1 C 8 33.600 38.600 25.600 1.00 0.00
ATOM 46 BB2 C 8 36.200 36.400 27.200 1.00 0.00
ATOM 47 BB3 C 8 38.200 36.900 26.900 1.00 0.00
ATOM 48 SC1 C 8 38.100 35.500 24.400 1.00 0.00
ATOM 49 SC2 C 8 40.300 34.900 24.000 1.00 0.00
ATOM 50 SC3 C 8 38.300 33.400 22.800 1.00 0.00
ATOM 51 BB1 U 9 38.900 40.400 26.100 1.00 0.00
ATOM 52 BB2 U 9 39.000 40.000 22.700 1.00 0.00
ATOM 53 BB3 U 9 37.800 39.100 21.500 1.00 0.00
ATOM 54 SC1 U 9 39.200 37.000 21.500 1.00 0.00
ATOM 55 SC2 U 9 37.600 35.700 20.900 1.00 0.00
ATOM 56 SC3 U 9 40.200 34.800 20.100 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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