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***    ***

elNémo ID: 220814122145134230

Job options:

ID        	=	 220814122145134230
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     Title of the system in water t= 373000.00000 step= 186500000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.900   52.900   52.900  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      47.200  35.400  13.400  1.00  0.00            
ATOM      2  BB3   C   401      47.800  35.700  15.300  1.00  0.00            
ATOM      3 CSC1   C   401      46.400  33.400  16.300  1.00  0.00            
ATOM      4 CSC2   C   401      46.000  33.800  18.500  1.00  0.00            
ATOM      5 CSC3   C   401      45.100  31.300  17.300  1.00  0.00            
ATOM      6  BB1   G   402      45.600  37.800  17.500  1.00  0.00            
ATOM      7  BB2   G   402      44.000  39.200  14.500  1.00  0.00            
ATOM      8  BB3   G   402      42.800  37.900  13.500  1.00  0.00            
ATOM      9 GSC1   G   402      44.500  38.700  15.500  1.00  0.00            
ATOM     10 GSC2   G   402      44.800  37.100  17.900  1.00  0.00            
ATOM     11 GSC3   G   402      47.100  38.900  17.400  1.00  0.00            
ATOM     12 GSC4   G   402      45.200  40.200  15.600  1.00  0.00            
ATOM     13  BB1   U   403      42.700  34.600  14.900  1.00  0.00            
ATOM     14  BB2   U   403      40.900  37.200  17.100  1.00  0.00            
ATOM     15  BB3   U   403      39.600  38.800  16.200  1.00  0.00            
ATOM     16 USC1   U   403      41.300  36.600  16.800  1.00  0.00            
ATOM     17 USC2   U   403      39.900  35.000  15.900  1.00  0.00            
ATOM     18 USC3   U   403      42.800  34.600  15.600  1.00  0.00            
ATOM     19  BB1   G   404      40.400  42.100  15.100  1.00  0.00            
ATOM     20  BB2   G   404      36.900  41.700  14.600  1.00  0.00            
ATOM     21  BB3   G   404      36.300  40.100  13.300  1.00  0.00            
ATOM     22 GSC1   G   404      37.800  42.500  13.700  1.00  0.00            
ATOM     23 GSC2   G   404      40.600  41.600  13.900  1.00  0.00            
ATOM     24 GSC3   G   404      39.800  43.300  16.200  1.00  0.00            
ATOM     25 GSC4   G   404      37.700  44.000  14.300  1.00  0.00            
ATOM     26  BB1   A   405      33.000  39.800  11.800  1.00  0.00            
ATOM     27  BB2   A   405      32.700  40.300  15.500  1.00  0.00            
ATOM     28  BB3   A   405      32.000  41.800  14.600  1.00  0.00            
ATOM     29 ASC1   A   405      33.000  40.900  17.200  1.00  0.00            
ATOM     30 ASC2   A   405      31.600  41.100  19.200  1.00  0.00            
ATOM     31 ASC3   A   405      33.900  41.900  20.300  1.00  0.00            
ATOM     32 ASC4   A   405      34.600  41.000  17.400  1.00  0.00            
ATOM     33  BB1   C   406      33.600  45.100  14.300  1.00  0.00            
ATOM     34  BB2   C   406      32.300  44.700  17.600  1.00  0.00            
ATOM     35  BB3   C   406      32.800  46.200  16.600  1.00  0.00            
ATOM     36 CSC1   C   406      34.500  44.800  14.700  1.00  0.00            
ATOM     37 CSC2   C   406      34.000  46.400  13.300  1.00  0.00            
ATOM     38 CSC3   C   406      34.600  43.800  12.300  1.00  0.00            
ATOM     39  BB1   U   407      36.100  47.600  17.100  1.00  0.00            
ATOM     40  BB2   U   407      36.600  44.000  17.800  1.00  0.00            
ATOM     41  BB3   U   407      37.300  43.700  19.800  1.00  0.00            
ATOM     42 USC1   U   407      36.600  45.700  17.700  1.00  0.00            
ATOM     43 USC2   U   407      38.600  46.400  17.100  1.00  0.00            
ATOM     44 USC3   U   407      36.300  48.000  16.300  1.00  0.00            
ATOM     45  BB1   C   408      39.800  41.300  20.200  1.00  0.00            
ATOM     46  BB2   C   408      36.900  39.500  19.700  1.00  0.00            
ATOM     47  BB3   C   408      38.400  39.700  21.100  1.00  0.00            
ATOM     48 CSC1   C   408      40.200  40.900  19.200  1.00  0.00            
ATOM     49 CSC2   C   408      41.700  41.400  20.800  1.00  0.00            
ATOM     50 CSC3   C   408      42.700  40.600  18.300  1.00  0.00            
ATOM     51  BB1   U   409      41.200  37.200  21.300  1.00  0.00            
ATOM     52  BB2   U   409      41.800  39.300  24.000  1.00  0.00            
ATOM     53  BB3   U   409      40.500  39.400  25.600  1.00  0.00            
ATOM     54 USC1   U   409      41.900  38.600  23.200  1.00  0.00            
ATOM     55 USC2   U   409      40.900  36.600  23.100  1.00  0.00            
ATOM     56 USC3   U   409      42.100  37.600  20.600  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.