***    ***
Job options:
ID = 220816185516131152
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= 0.00000 step= 0
REMARK THIS IS A SIMULATION BOX
CRYST1 52.489 52.489 52.489 60.00 60.00 90.00 P 1 1
MODEL 1
ATOM 1 BB2 C 1 35.500 42.100 24.400 1.00 0.00
ATOM 2 BB3 C 1 34.700 41.900 22.500 1.00 0.00
ATOM 3 SC1 C 1 33.100 43.700 22.600 1.00 0.00
ATOM 4 SC2 C 1 31.500 43.300 21.000 1.00 0.00
ATOM 5 SC3 C 1 32.200 46.000 21.400 1.00 0.00
ATOM 6 BB1 G 2 35.000 38.400 21.300 1.00 0.00
ATOM 7 BB2 G 2 31.600 38.900 20.400 1.00 0.00
ATOM 8 BB3 G 2 31.300 39.000 18.500 1.00 0.00
ATOM 9 SC1 G 2 31.200 41.600 17.800 1.00 0.00
ATOM 10 SC2 G 2 28.700 43.200 17.900 1.00 0.00
ATOM 11 SC3 G 2 31.000 45.100 18.100 1.00 0.00
ATOM 12 SC4 G 2 32.400 42.600 17.500 1.00 0.00
ATOM 13 BB1 U 3 29.500 36.400 17.300 1.00 0.00
ATOM 14 BB2 U 3 28.700 38.600 14.400 1.00 0.00
ATOM 15 BB3 U 3 30.200 39.400 13.400 1.00 0.00
ATOM 16 SC1 U 3 29.900 42.100 14.500 1.00 0.00
ATOM 17 SC2 U 3 31.700 43.400 14.500 1.00 0.00
ATOM 18 SC3 U 3 29.200 44.800 15.100 1.00 0.00
ATOM 19 BB1 G 4 33.000 37.100 13.400 1.00 0.00
ATOM 20 BB2 G 4 34.700 39.400 15.400 1.00 0.00
ATOM 21 BB3 G 4 35.700 40.800 14.400 1.00 0.00
ATOM 22 SC1 G 4 36.100 42.900 16.500 1.00 0.00
ATOM 23 SC2 G 4 34.500 45.400 16.300 1.00 0.00
ATOM 24 SC3 G 4 34.700 44.800 19.200 1.00 0.00
ATOM 25 SC4 G 4 36.500 42.700 18.100 1.00 0.00
ATOM 26 BB1 A 5 37.000 40.300 11.300 1.00 0.00
ATOM 27 BB2 A 5 39.900 40.800 13.300 1.00 0.00
ATOM 28 BB3 A 5 40.800 42.500 13.200 1.00 0.00
ATOM 29 SC1 A 5 39.800 43.800 15.600 1.00 0.00
ATOM 30 SC2 A 5 38.300 45.600 15.600 1.00 0.00
ATOM 31 SC3 A 5 38.300 45.400 18.200 1.00 0.00
ATOM 32 SC4 A 5 40.300 43.400 17.100 1.00 0.00
ATOM 33 BB1 C 6 43.100 41.600 11.000 1.00 0.00
ATOM 34 BB2 C 6 45.100 43.900 12.500 1.00 0.00
ATOM 35 BB3 C 6 46.000 43.800 14.300 1.00 0.00
ATOM 36 SC1 C 6 43.900 44.800 15.300 1.00 0.00
ATOM 37 SC2 C 6 44.400 45.800 17.200 1.00 0.00
ATOM 38 SC3 C 6 41.900 46.500 16.000 1.00 0.00
ATOM 39 BB1 U 7 46.600 40.600 14.500 1.00 0.00
ATOM 40 BB2 U 7 43.800 40.400 16.800 1.00 0.00
ATOM 41 BB3 U 7 43.900 40.500 18.600 1.00 0.00
ATOM 42 SC1 U 7 43.300 43.300 19.000 1.00 0.00
ATOM 43 SC2 U 7 43.800 43.700 21.100 1.00 0.00
ATOM 44 SC3 U 7 41.600 45.200 20.100 1.00 0.00
ATOM 45 BB1 C 8 43.800 36.800 18.900 1.00 0.00
ATOM 46 BB2 C 8 43.500 38.100 22.100 1.00 0.00
ATOM 47 BB3 C 8 44.700 37.600 23.600 1.00 0.00
ATOM 48 SC1 C 8 44.700 35.100 22.700 1.00 0.00
ATOM 49 SC2 C 8 44.300 35.200 20.500 1.00 0.00
ATOM 50 SC3 C 8 43.000 33.100 22.000 1.00 0.00
ATOM 51 BB1 U 9 47.600 39.400 22.500 1.00 0.00
ATOM 52 BB2 U 9 50.000 36.700 23.100 1.00 0.00
ATOM 53 BB3 U 9 49.800 35.800 24.900 1.00 0.00
ATOM 54 SC1 U 9 47.200 34.400 24.900 1.00 0.00
ATOM 55 SC2 U 9 47.700 32.600 26.100 1.00 0.00
ATOM 56 SC3 U 9 45.600 32.300 24.100 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.
|