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***    ***

elNémo ID: 220814122439138978

Job options:

ID        	=	 220814122439138978
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= 623000.00000 step= 311500000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.885   52.885   52.885  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      33.800  25.800  13.700  1.00  0.00            
ATOM      2  BB3   C   401      34.600  27.200  15.100  1.00  0.00            
ATOM      3 CSC1   C   401      33.100  24.300  15.100  1.00  0.00            
ATOM      4 CSC2   C   401      31.200  24.200  13.800  1.00  0.00            
ATOM      5 CSC3   C   401      32.000  21.800  15.200  1.00  0.00            
ATOM      6  BB1   G   402      37.700  27.900  15.800  1.00  0.00            
ATOM      7  BB2   G   402      34.200  28.000  18.700  1.00  0.00            
ATOM      8  BB3   G   402      35.500  27.900  20.600  1.00  0.00            
ATOM      9 GSC1   G   402      32.500  26.800  18.900  1.00  0.00            
ATOM     10 GSC2   G   402      29.900  28.100  17.900  1.00  0.00            
ATOM     11 GSC3   G   402      30.000  25.300  17.200  1.00  0.00            
ATOM     12 GSC4   G   402      32.700  25.300  18.500  1.00  0.00            
ATOM     13  BB1   U   403      38.200  26.300  21.400  1.00  0.00            
ATOM     14  BB2   U   403      38.000  27.700  25.300  1.00  0.00            
ATOM     15  BB3   U   403      36.300  26.700  26.600  1.00  0.00            
ATOM     16 USC1   U   403      38.000  29.400  26.000  1.00  0.00            
ATOM     17 USC2   U   403      38.900  30.100  27.900  1.00  0.00            
ATOM     18 USC3   U   403      38.600  32.100  25.700  1.00  0.00            
ATOM     19  BB1   G   404      33.900  25.600  24.100  1.00  0.00            
ATOM     20  BB2   G   404      31.300  27.200  22.300  1.00  0.00            
ATOM     21  BB3   G   404      29.900  28.400  23.400  1.00  0.00            
ATOM     22 GSC1   G   404      29.800  26.000  21.200  1.00  0.00            
ATOM     23 GSC2   G   404      27.000  25.800  19.900  1.00  0.00            
ATOM     24 GSC3   G   404      28.200  23.200  20.200  1.00  0.00            
ATOM     25 GSC4   G   404      30.600  24.500  21.400  1.00  0.00            
ATOM     26  BB1   A   405      28.900  28.000  26.300  1.00  0.00            
ATOM     27  BB2   A   405      26.000  28.100  23.400  1.00  0.00            
ATOM     28  BB3   A   405      24.300  29.400  23.900  1.00  0.00            
ATOM     29 ASC1   A   405      25.000  26.400  22.700  1.00  0.00            
ATOM     30 ASC2   A   405      23.200  25.500  21.400  1.00  0.00            
ATOM     31 ASC3   A   405      24.400  23.100  21.900  1.00  0.00            
ATOM     32 ASC4   A   405      26.000  25.200  23.200  1.00  0.00            
ATOM     33  BB1   C   406      23.500  29.900  27.200  1.00  0.00            
ATOM     34  BB2   C   406      22.800  26.200  26.100  1.00  0.00            
ATOM     35  BB3   C   406      21.100  25.100  27.300  1.00  0.00            
ATOM     36 CSC1   C   406      24.100  24.900  26.100  1.00  0.00            
ATOM     37 CSC2   C   406      24.300  22.700  25.700  1.00  0.00            
ATOM     38 CSC3   C   406      26.700  24.300  26.400  1.00  0.00            
ATOM     39  BB1   U   407      20.400  25.200  30.200  1.00  0.00            
ATOM     40  BB2   U   407      18.000  27.800  31.800  1.00  0.00            
ATOM     41  BB3   U   407      18.800  29.100  33.700  1.00  0.00            
ATOM     42 USC1   U   407      16.200  27.400  32.200  1.00  0.00            
ATOM     43 USC2   U   407      14.800  28.500  33.700  1.00  0.00            
ATOM     44 USC3   U   407      14.200  25.700  32.900  1.00  0.00            
ATOM     45  BB1   C   408      20.600  28.200  36.200  1.00  0.00            
ATOM     46  BB2   C   408      17.100  26.800  36.200  1.00  0.00            
ATOM     47  BB3   C   408      16.200  26.000  38.400  1.00  0.00            
ATOM     48 CSC1   C   408      16.900  25.400  35.200  1.00  0.00            
ATOM     49 CSC2   C   408      15.700  23.500  35.200  1.00  0.00            
ATOM     50 CSC3   C   408      17.700  23.800  33.100  1.00  0.00            
ATOM     51  BB1   U   409      18.000  24.900  40.800  1.00  0.00            
ATOM     52  BB2   U   409      20.100  22.300  38.700  1.00  0.00            
ATOM     53  BB3   U   409      22.000  24.100  38.100  1.00  0.00            
ATOM     54 USC1   U   409      19.500  22.100  37.100  1.00  0.00            
ATOM     55 USC2   U   409      20.500  21.100  35.400  1.00  0.00            
ATOM     56 USC3   U   409      17.700  20.700  35.600  1.00  0.00            
TER
ENDMDL


A second structure was input as follows:


TITLE     Title of the system in water t= 624000.00000 step= 312000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.822   52.822   52.822  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      45.000  39.000  17.100  1.00  0.00            
ATOM      2  BB3   C   401      43.700  38.300  15.600  1.00  0.00            
ATOM      3 CSC1   C   401      43.400  35.800  16.900  1.00  0.00            
ATOM      4 CSC2   C   401      41.600  34.800  16.000  1.00  0.00            
ATOM      5 CSC3   C   401      43.100  33.300  17.800  1.00  0.00            
ATOM      6  BB1   G   402      40.100  38.600  15.700  1.00  0.00            
ATOM      7  BB2   G   402      41.900  41.900  15.600  1.00  0.00            
ATOM      8  BB3   G   402      41.900  42.900  13.900  1.00  0.00            
ATOM      9 GSC1   G   402      40.800  40.700  15.300  1.00  0.00            
ATOM     10 GSC2   G   402      40.600  38.400  13.400  1.00  0.00            
ATOM     11 GSC3   G   402      39.500  37.600  16.000  1.00  0.00            
ATOM     12 GSC4   G   402      40.000  40.400  16.700  1.00  0.00            
ATOM     13  BB1   U   403      40.900  41.500  10.800  1.00  0.00            
ATOM     14  BB2   U   403      39.500  44.800  10.900  1.00  0.00            
ATOM     15  BB3   U   403      37.600  45.500  11.200  1.00  0.00            
ATOM     16 USC1   U   403      39.300  43.500  10.000  1.00  0.00            
ATOM     17 USC2   U   403      39.000  41.700  11.400  1.00  0.00            
ATOM     18 USC3   U   403      41.400  41.700   9.800  1.00  0.00            
ATOM     19  BB1   G   404      35.300  43.600  13.300  1.00  0.00            
ATOM     20  BB2   G   404      38.200  44.100  15.700  1.00  0.00            
ATOM     21  BB3   G   404      37.800  44.600  17.500  1.00  0.00            
ATOM     22 GSC1   G   404      36.900  44.200  14.900  1.00  0.00            
ATOM     23 GSC2   G   404      34.500  45.600  13.800  1.00  0.00            
ATOM     24 GSC3   G   404      34.400  42.700  13.500  1.00  0.00            
ATOM     25 GSC4   G   404      37.300  42.800  14.100  1.00  0.00            
ATOM     26  BB1   A   405      34.500  45.500  18.000  1.00  0.00            
ATOM     27  BB2   A   405      34.300  42.000  17.600  1.00  0.00            
ATOM     28  BB3   A   405      34.800  42.400  19.400  1.00  0.00            
ATOM     29 ASC1   A   405      35.300  40.300  17.500  1.00  0.00            
ATOM     30 ASC2   A   405      34.600  38.200  18.400  1.00  0.00            
ATOM     31 ASC3   A   405      37.200  37.900  18.600  1.00  0.00            
ATOM     32 ASC4   A   405      36.800  40.300  17.000  1.00  0.00            
ATOM     33  BB1   C   406      36.800  40.500  21.500  1.00  0.00            
ATOM     34  BB2   C   406      39.400  43.000  20.500  1.00  0.00            
ATOM     35  BB3   C   406      38.700  41.100  20.000  1.00  0.00            
ATOM     36 CSC1   C   406      37.400  40.400  22.200  1.00  0.00            
ATOM     37 CSC2   C   406      35.800  39.000  21.600  1.00  0.00            
ATOM     38 CSC3   C   406      35.300  40.600  23.800  1.00  0.00            
ATOM     39  BB1   U   407      41.300  38.700  19.900  1.00  0.00            
ATOM     40  BB2   U   407      43.300  41.700  19.600  1.00  0.00            
ATOM     41  BB3   U   407      43.800  42.600  21.400  1.00  0.00            
ATOM     42 USC1   U   407      42.400  40.700  19.800  1.00  0.00            
ATOM     43 USC2   U   407      43.500  38.900  20.700  1.00  0.00            
ATOM     44 USC3   U   407      41.000  38.300  19.500  1.00  0.00            
ATOM     45  BB1   C   408      41.600  42.200  24.100  1.00  0.00            
ATOM     46  BB2   C   408      41.200  45.700  23.200  1.00  0.00            
ATOM     47  BB3   C   408      41.800  44.900  24.800  1.00  0.00            
ATOM     48 CSC1   C   408      40.900  42.400  24.100  1.00  0.00            
ATOM     49 CSC2   C   408      41.800  41.100  25.600  1.00  0.00            
ATOM     50 CSC3   C   408      40.800  39.900  23.300  1.00  0.00            
ATOM     51  BB1   U   409      39.400  44.100  27.000  1.00  0.00            
ATOM     52  BB2   U   409      37.500  44.100  23.900  1.00  0.00            
ATOM     53  BB3   U   409      37.300  45.900  22.900  1.00  0.00            
ATOM     54 USC1   U   409      37.800  44.300  25.100  1.00  0.00            
ATOM     55 USC2   U   409      37.100  45.900  26.600  1.00  0.00            
ATOM     56 USC3   U   409      39.300  44.200  27.500  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.