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***    ***

elNémo ID: 220816185940146602

Job options:

ID        	=	 220816185940146602
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     Martini system from 1si3.gro t= 4000.00000 step= 200000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.523   52.523   52.523  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C     1      37.500  41.700  25.400  1.00  0.00            
ATOM      2  BB3   C     1      36.500  40.000  25.300  1.00  0.00            
ATOM      3  SC1   C     1      38.500  38.300  25.000  1.00  0.00            
ATOM      4  SC2   C     1      38.000  38.300  22.800  1.00  0.00            
ATOM      5  SC3   C     1      39.900  36.500  23.700  1.00  0.00            
ATOM      6  BB1   G     2      35.900  39.700  28.900  1.00  0.00            
ATOM      7  BB2   G     2      37.400  36.700  29.400  1.00  0.00            
ATOM      8  BB3   G     2      39.400  36.200  29.000  1.00  0.00            
ATOM      9  SC1   G     2      39.400  33.700  27.900  1.00  0.00            
ATOM     10  SC2   G     2      40.500  33.500  25.200  1.00  0.00            
ATOM     11  SC3   G     2      40.900  30.900  26.500  1.00  0.00            
ATOM     12  SC4   G     2      39.800  32.400  28.800  1.00  0.00            
ATOM     13  BB1   U     3      40.800  39.000  30.200  1.00  0.00            
ATOM     14  BB2   U     3      43.000  40.500  27.900  1.00  0.00            
ATOM     15  BB3   U     3      42.300  41.500  26.400  1.00  0.00            
ATOM     16  SC1   U     3      42.100  39.400  24.600  1.00  0.00            
ATOM     17  SC2   U     3      43.900  40.100  23.500  1.00  0.00            
ATOM     18  SC3   U     3      43.400  37.300  23.500  1.00  0.00            
ATOM     19  BB1   G     4      43.300  44.900  27.000  1.00  0.00            
ATOM     20  BB2   G     4      44.000  44.600  23.800  1.00  0.00            
ATOM     21  BB3   G     4      42.500  45.000  22.100  1.00  0.00            
ATOM     22  SC1   G     4      41.700  42.200  21.700  1.00  0.00            
ATOM     23  SC2   G     4      43.300  40.200  20.200  1.00  0.00            
ATOM     24  SC3   G     4      41.200  38.700  21.500  1.00  0.00            
ATOM     25  SC4   G     4      40.500  41.400  22.400  1.00  0.00            
ATOM     26  BB1   A     5      43.900  47.800  20.800  1.00  0.00            
ATOM     27  BB2   A     5      45.000  44.600  19.100  1.00  0.00            
ATOM     28  BB3   A     5      44.200  43.900  17.200  1.00  0.00            
ATOM     29  SC1   A     5      41.800  42.500  17.800  1.00  0.00            
ATOM     30  SC2   A     5      41.300  40.200  17.500  1.00  0.00            
ATOM     31  SC3   A     5      39.200  40.700  19.200  1.00  0.00            
ATOM     32  SC4   A     5      40.600  43.300  18.600  1.00  0.00            
ATOM     33  BB1   C     6      46.500  45.400  15.400  1.00  0.00            
ATOM     34  BB2   C     6      43.400  45.600  13.600  1.00  0.00            
ATOM     35  BB3   C     6      42.200  44.200  12.800  1.00  0.00            
ATOM     36  SC1   C     6      40.100  44.000  14.500  1.00  0.00            
ATOM     37  SC2   C     6      40.000  41.800  14.200  1.00  0.00            
ATOM     38  SC3   C     6      38.200  43.000  16.000  1.00  0.00            
ATOM     39  BB1   U     7      42.200  44.400   9.500  1.00  0.00            
ATOM     40  BB2   U     7      38.600  43.500  10.200  1.00  0.00            
ATOM     41  BB3   U     7      37.900  41.700   9.900  1.00  0.00            
ATOM     42  SC1   U     7      37.000  41.400  12.400  1.00  0.00            
ATOM     43  SC2   U     7      35.500  39.900  12.100  1.00  0.00            
ATOM     44  SC3   U     7      36.500  40.000  14.800  1.00  0.00            
ATOM     45  BB1   C     8      35.800  42.500   6.900  1.00  0.00            
ATOM     46  BB2   C     8      32.700  42.400   9.500  1.00  0.00            
ATOM     47  BB3   C     8      32.300  43.800  10.800  1.00  0.00            
ATOM     48  SC1   C     8      34.000  42.900  12.500  1.00  0.00            
ATOM     49  SC2   C     8      32.700  41.600  13.900  1.00  0.00            
ATOM     50  SC3   C     8      34.700  43.100  15.100  1.00  0.00            
ATOM     51  BB1   U     9      34.900  46.400  10.000  1.00  0.00            
ATOM     52  BB2   U     9      37.000  46.700  12.500  1.00  0.00            
ATOM     53  BB3   U     9      36.500  47.000  14.500  1.00  0.00            
ATOM     54  SC1   U     9      39.100  47.100  15.100  1.00  0.00            
ATOM     55  SC2   U     9      38.800  46.000  17.100  1.00  0.00            
ATOM     56  SC3   U     9      41.200  47.500  17.000  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.