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***    ***

elNémo ID: 220814121620133453

Job options:

ID        	=	 220814121620133453
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     TITLE     5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3'
REMARK    THIS IS A SIMULATION BOX
CRYST1  277.500  144.800  179.100  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401     151.200 299.800 369.400  1.00  0.00            
ATOM      2  BB3   C   401     146.900 276.200 369.800  1.00  0.00            
ATOM      3 CSC1   C   401     145.000 303.800 352.600  1.00  0.00            
ATOM      4 CSC2   C   401     127.400 297.300 339.100  1.00  0.00            
ATOM      5 CSC3   C   401     147.000 315.800 328.000  1.00  0.00            
ATOM      6  BB1   G   402     178.000 260.600 366.100  1.00  0.00            
ATOM      7  BB2   G   402     154.000 260.200 331.700  1.00  0.00            
ATOM      8  BB3   G   402     156.500 241.400 321.200  1.00  0.00            
ATOM      9 GSC1   G   402     155.300 273.800 315.300  1.00  0.00            
ATOM     10 GSC2   G   402     149.400 276.100 285.900  1.00  0.00            
ATOM     11 GSC3   G   402     164.300 299.700 294.900  1.00  0.00            
ATOM     12 GSC4   G   402     164.100 285.800 321.800  1.00  0.00            
ATOM     13  BB1   U   403     183.500 222.300 320.500  1.00  0.00            
ATOM     14  BB2   U   403     176.600 245.000 290.900  1.00  0.00            
ATOM     15  BB3   U   403     182.300 238.100 268.400  1.00  0.00            
ATOM     16 USC1   U   403     183.900 261.200 291.400  1.00  0.00            
ATOM     17 USC2   U   403     186.700 278.800 276.900  1.00  0.00            
ATOM     18 USC3   U   403     196.700 281.700 304.000  1.00  0.00            
ATOM     19  BB1   G   404     208.100 214.800 270.200  1.00  0.00            
ATOM     20  BB2   G   404     209.800 249.700 247.800  1.00  0.00            
ATOM     21  BB3   G   404     222.900 247.300 231.200  1.00  0.00            
ATOM     22 GSC1   G   404     214.900 269.600 254.500  1.00  0.00            
ATOM     23 GSC2   G   404     219.900 297.500 244.500  1.00  0.00            
ATOM     24 GSC3   G   404     223.300 296.800 273.700  1.00  0.00            
ATOM     25 GSC4   G   404     217.800 267.300 270.500  1.00  0.00            
ATOM     26  BB1   A   405     252.600 235.300 232.400  1.00  0.00            
ATOM     27  BB2   A   405     253.900 277.600 227.600  1.00  0.00            
ATOM     28  BB3   A   405     272.300 279.800 216.200  1.00  0.00            
ATOM     29 ASC1   A   405     257.800 292.000 243.100  1.00  0.00            
ATOM     30 ASC2   A   405     269.200 312.000 249.100  1.00  0.00            
ATOM     31 ASC3   A   405     260.100 305.800 274.700  1.00  0.00            
ATOM     32 ASC4   A   405     251.500 284.000 255.900  1.00  0.00            
ATOM     33  BB1   C   406     298.100 261.400 216.900  1.00  0.00            
ATOM     34  BB2   C   406     306.000 296.500 225.000  1.00  0.00            
ATOM     35  BB3   C   406     326.700 304.900 219.600  1.00  0.00            
ATOM     36 CSC1   C   406     305.700 299.900 242.700  1.00  0.00            
ATOM     37 CSC2   C   406     304.500 319.600 254.700  1.00  0.00            
ATOM     38 CSC3   C   406     297.600 294.800 268.500  1.00  0.00            
ATOM     39  BB1   U   407     348.800 279.300 217.900  1.00  0.00            
ATOM     40  BB2   U   407     354.700 308.900 244.800  1.00  0.00            
ATOM     41  BB3   U   407     377.200 310.900 249.500  1.00  0.00            
ATOM     42 USC1   U   407     347.500 309.500 261.300  1.00  0.00            
ATOM     43 USC2   U   407     342.100 328.600 272.800  1.00  0.00            
ATOM     44 USC3   U   407     328.300 304.100 280.100  1.00  0.00            
ATOM     45  BB1   C   408     396.900 284.100 250.400  1.00  0.00            
ATOM     46  BB2   C   408     371.900 257.300 233.900  1.00  0.00            
ATOM     47  BB3   C   408     370.300 236.600 246.900  1.00  0.00            
ATOM     48 CSC1   C   408     372.900 251.100 216.700  1.00  0.00            
ATOM     49 CSC2   C   408     362.900 233.200 206.200  1.00  0.00            
ATOM     50 CSC3   C   408     381.500 249.500 190.700  1.00  0.00            
ATOM     51  BB1   U   409     396.900 227.600 265.800  1.00  0.00            
ATOM     52  BB2   U   409     385.600 207.100 235.600  1.00  0.00            
ATOM     53  BB3   U   409     390.400 183.800 234.900  1.00  0.00            
ATOM     54 USC1   U   409     391.900 212.200 219.700  1.00  0.00            
ATOM     55 USC2   U   409     386.300 207.100 198.100  1.00  0.00            
ATOM     56 USC3   U   409     404.900 229.000 202.300  1.00  0.00            
TER
CONECT    1    2
CONECT    2    3    6
CONECT    3    4    5
CONECT    4    5
CONECT    6    7
CONECT    7    8
CONECT    8    9   13
CONECT    9   10   11   12
CONECT   10   11   12
CONECT   11   12
CONECT   13   14
CONECT   14   15
CONECT   15   16   19
CONECT   16   17   18
CONECT   17   18
CONECT   19   20
CONECT   20   21
CONECT   21   22   26
CONECT   22   23   24   25
CONECT   23   24   25
CONECT   24   25
CONECT   26   27
CONECT   27   28
CONECT   28   29   33
CONECT   29   30   31   32
CONECT   30   31   32
CONECT   31   32
CONECT   33   34
CONECT   34   35
CONECT   35   36   39
CONECT   36   37   38
CONECT   37   38
CONECT   39   40
CONECT   40   41
CONECT   41   42   45
CONECT   42   43   44
CONECT   43   44
CONECT   45   46
CONECT   46   47
CONECT   47   48   51
CONECT   48   49   50
CONECT   49   50
CONECT   51   52
CONECT   52   53
CONECT   53   54
CONECT   54   55   56
CONECT   55   56
ENDMDL


A second structure was input as follows:


TITLE     Title of the system in water t= 124000.00000 step= 62000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.760   52.760   52.760  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      34.500  31.300  17.500  1.00  0.00            
ATOM      2  BB3   C   401      35.600  31.500  15.900  1.00  0.00            
ATOM      3 CSC1   C   401      38.300  31.900  17.100  1.00  0.00            
ATOM      4 CSC2   C   401      39.400  31.200  15.300  1.00  0.00            
ATOM      5 CSC3   C   401      40.700  31.200  17.800  1.00  0.00            
ATOM      6  BB1   G   402      35.900  34.600  13.700  1.00  0.00            
ATOM      7  BB2   G   402      32.700  34.700  15.400  1.00  0.00            
ATOM      8  BB3   G   402      32.200  36.100  16.600  1.00  0.00            
ATOM      9 GSC1   G   402      34.500  35.100  15.000  1.00  0.00            
ATOM     10 GSC2   G   402      37.400  35.100  15.400  1.00  0.00            
ATOM     11 GSC3   G   402      36.700  34.100  12.700  1.00  0.00            
ATOM     12 GSC4   G   402      34.100  35.300  13.500  1.00  0.00            
ATOM     13  BB1   U   403      33.000  39.100  15.200  1.00  0.00            
ATOM     14  BB2   U   403      36.000  38.400  17.300  1.00  0.00            
ATOM     15  BB3   U   403      35.700  38.500  19.300  1.00  0.00            
ATOM     16 USC1   U   403      35.300  38.600  16.400  1.00  0.00            
ATOM     17 USC2   U   403      34.400  40.600  16.200  1.00  0.00            
ATOM     18 USC3   U   403      33.600  38.700  14.200  1.00  0.00            
ATOM     19  BB1   G   404      38.500  38.800  21.600  1.00  0.00            
ATOM     20  BB2   G   404      39.300  36.000  19.300  1.00  0.00            
ATOM     21  BB3   G   404      40.900  36.400  17.900  1.00  0.00            
ATOM     22 GSC1   G   404      39.200  36.200  20.400  1.00  0.00            
ATOM     23 GSC2   G   404      39.500  38.800  21.800  1.00  0.00            
ATOM     24 GSC3   G   404      37.500  37.200  23.000  1.00  0.00            
ATOM     25 GSC4   G   404      38.600  35.100  21.300  1.00  0.00            
ATOM     26  BB1   A   405      40.300  39.000  15.700  1.00  0.00            
ATOM     27  BB2   A   405      40.800  40.900  18.700  1.00  0.00            
ATOM     28  BB3   A   405      41.800  41.400  17.100  1.00  0.00            
ATOM     29 ASC1   A   405      39.500  42.000  18.900  1.00  0.00            
ATOM     30 ASC2   A   405      37.300  41.600  18.100  1.00  0.00            
ATOM     31 ASC3   A   405      36.700  42.800  20.400  1.00  0.00            
ATOM     32 ASC4   A   405      39.700  42.400  20.400  1.00  0.00            
ATOM     33  BB1   C   406      39.700  43.500  14.900  1.00  0.00            
ATOM     34  BB2   C   406      43.000  44.800  15.000  1.00  0.00            
ATOM     35  BB3   C   406      41.300  45.600  14.400  1.00  0.00            
ATOM     36 CSC1   C   406      40.400  43.500  13.500  1.00  0.00            
ATOM     37 CSC2   C   406      39.000  43.100  15.100  1.00  0.00            
ATOM     38 CSC3   C   406      38.800  41.600  12.700  1.00  0.00            
ATOM     39  BB1   U   407      38.600  47.200  16.400  1.00  0.00            
ATOM     40  BB2   U   407      41.200  47.100  18.800  1.00  0.00            
ATOM     41  BB3   U   407      42.200  45.300  18.900  1.00  0.00            
ATOM     42 USC1   U   407      40.200  47.000  18.200  1.00  0.00            
ATOM     43 USC2   U   407      38.500  45.600  18.100  1.00  0.00            
ATOM     44 USC3   U   407      38.200  48.000  16.600  1.00  0.00            
ATOM     45  BB1   C   408      43.600  44.100  21.900  1.00  0.00            
ATOM     46  BB2   C   408      45.500  42.800  19.200  1.00  0.00            
ATOM     47  BB3   C   408      44.300  42.300  20.900  1.00  0.00            
ATOM     48 CSC1   C   408      44.700  44.600  21.900  1.00  0.00            
ATOM     49 CSC2   C   408      43.300  44.600  23.700  1.00  0.00            
ATOM     50 CSC3   C   408      43.700  47.000  22.400  1.00  0.00            
ATOM     51  BB1   U   409      45.900  40.300  23.100  1.00  0.00            
ATOM     52  BB2   U   409      43.800  37.900  21.100  1.00  0.00            
ATOM     53  BB3   U   409      44.700  37.200  19.400  1.00  0.00            
ATOM     54 USC1   U   409      44.700  38.300  21.900  1.00  0.00            
ATOM     55 USC2   U   409      46.900  38.600  22.000  1.00  0.00            
ATOM     56 USC3   U   409      45.500  38.700  24.600  1.00  0.00            
TER
ENDMDL



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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.