CNRS Nantes University UFIP UFIP
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***    ***

elNémo ID: 220814122523143256

Job options:

ID        	=	 220814122523143256
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= 874000.00000 step= 437000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.914   52.914   52.914  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      19.800  20.800  32.600  1.00  0.00            
ATOM      2  BB3   C   401      18.000  22.400  31.900  1.00  0.00            
ATOM      3 CSC1   C   401      21.300  21.900  32.400  1.00  0.00            
ATOM      4 CSC2   C   401      21.700  24.000  33.200  1.00  0.00            
ATOM      5 CSC3   C   401      23.900  22.500  32.100  1.00  0.00            
ATOM      6  BB1   G   402      16.800  22.800  29.100  1.00  0.00            
ATOM      7  BB2   G   402      17.300  26.100  31.300  1.00  0.00            
ATOM      8  BB3   G   402      16.100  27.900  30.300  1.00  0.00            
ATOM      9 GSC1   G   402      19.100  27.000  31.800  1.00  0.00            
ATOM     10 GSC2   G   402      20.700  28.600  34.000  1.00  0.00            
ATOM     11 GSC3   G   402      22.500  27.000  32.400  1.00  0.00            
ATOM     12 GSC4   G   402      20.100  26.100  30.800  1.00  0.00            
ATOM     13  BB1   U   403      15.100  28.600  27.300  1.00  0.00            
ATOM     14  BB2   U   403      19.700  28.000  26.200  1.00  0.00            
ATOM     15  BB3   U   403      19.000  25.900  26.200  1.00  0.00            
ATOM     16 USC1   U   403      21.200  27.900  27.400  1.00  0.00            
ATOM     17 USC2   U   403      19.700  29.400  28.500  1.00  0.00            
ATOM     18 USC3   U   403      22.400  29.100  29.600  1.00  0.00            
ATOM     19  BB1   G   404      17.200  24.200  23.800  1.00  0.00            
ATOM     20  BB2   G   404      19.300  20.700  23.200  1.00  0.00            
ATOM     21  BB3   G   404      21.100  21.100  24.600  1.00  0.00            
ATOM     22 GSC1   G   404      20.100  20.200  21.500  1.00  0.00            
ATOM     23 GSC2   G   404      18.700  22.800  20.500  1.00  0.00            
ATOM     24 GSC3   G   404      19.300  21.000  18.300  1.00  0.00            
ATOM     25 GSC4   G   404      20.600  19.200  20.400  1.00  0.00            
ATOM     26  BB1   A   405      22.700  23.500  25.600  1.00  0.00            
ATOM     27  BB2   A   405      25.800  20.600  26.100  1.00  0.00            
ATOM     28  BB3   A   405      26.600  21.000  27.900  1.00  0.00            
ATOM     29 ASC1   A   405      27.500  20.200  24.900  1.00  0.00            
ATOM     30 ASC2   A   405      29.700  19.300  24.900  1.00  0.00            
ATOM     31 ASC3   A   405      30.000  20.500  22.400  1.00  0.00            
ATOM     32 ASC4   A   405      27.100  21.000  23.500  1.00  0.00            
ATOM     33  BB1   C   406      27.100  24.000  29.100  1.00  0.00            
ATOM     34  BB2   C   406      28.400  23.900  25.500  1.00  0.00            
ATOM     35  BB3   C   406      30.300  25.200  25.000  1.00  0.00            
ATOM     36 CSC1   C   406      27.300  24.400  24.200  1.00  0.00            
ATOM     37 CSC2   C   406      27.400  24.200  21.900  1.00  0.00            
ATOM     38 CSC3   C   406      24.800  25.100  23.100  1.00  0.00            
ATOM     39  BB1   U   407      30.900  28.100  26.500  1.00  0.00            
ATOM     40  BB2   U   407      30.500  27.900  22.700  1.00  0.00            
ATOM     41  BB3   U   407      31.700  29.300  21.300  1.00  0.00            
ATOM     42 USC1   U   407      28.900  28.100  21.800  1.00  0.00            
ATOM     43 USC2   U   407      28.000  27.200  19.900  1.00  0.00            
ATOM     44 USC3   U   407      26.100  28.200  21.900  1.00  0.00            
ATOM     45  BB1   C   408      32.000  32.300  22.200  1.00  0.00            
ATOM     46  BB2   C   408      32.200  33.600  25.800  1.00  0.00            
ATOM     47  BB3   C   408      34.100  34.000  26.900  1.00  0.00            
ATOM     48 CSC1   C   408      31.200  32.800  27.200  1.00  0.00            
ATOM     49 CSC2   C   408      30.700  33.600  29.300  1.00  0.00            
ATOM     50 CSC3   C   408      29.400  31.100  28.400  1.00  0.00            
ATOM     51  BB1   U   409      36.400  31.900  26.700  1.00  0.00            
ATOM     52  BB2   U   409      35.900  33.300  30.300  1.00  0.00            
ATOM     53  BB3   U   409      37.700  32.700  31.700  1.00  0.00            
ATOM     54 USC1   U   409      34.400  32.900  31.300  1.00  0.00            
ATOM     55 USC2   U   409      33.700  33.800  33.300  1.00  0.00            
ATOM     56 USC3   U   409      32.000  31.900  32.000  1.00  0.00            
TER
ENDMDL


A second structure was input as follows:


TITLE     Title of the system in water t= 875000.00000 step= 437500000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.758   52.758   52.758  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      32.600  36.600  16.100  1.00  0.00            
ATOM      2  BB3   C   401      32.400  37.800  17.800  1.00  0.00            
ATOM      3 CSC1   C   401      33.200  35.600  19.400  1.00  0.00            
ATOM      4 CSC2   C   401      35.400  35.700  19.400  1.00  0.00            
ATOM      5 CSC3   C   401      34.300  33.300  20.200  1.00  0.00            
ATOM      6  BB1   G   402      34.600  40.000  19.100  1.00  0.00            
ATOM      7  BB2   G   402      34.700  41.000  15.500  1.00  0.00            
ATOM      8  BB3   G   402      35.100  39.600  14.300  1.00  0.00            
ATOM      9 GSC1   G   402      35.300  40.700  16.900  1.00  0.00            
ATOM     10 GSC2   G   402      36.700  38.900  18.700  1.00  0.00            
ATOM     11 GSC3   G   402      34.600  40.200  20.200  1.00  0.00            
ATOM     12 GSC4   G   402      34.200  41.700  17.600  1.00  0.00            
ATOM     13  BB1   U   403      38.200  40.200  12.800  1.00  0.00            
ATOM     14  BB2   U   403      38.900  41.100  16.300  1.00  0.00            
ATOM     15  BB3   U   403      38.700  43.100  16.700  1.00  0.00            
ATOM     16 USC1   U   403      38.600  41.000  14.900  1.00  0.00            
ATOM     17 USC2   U   403      38.800  42.200  13.000  1.00  0.00            
ATOM     18 USC3   U   403      38.800  39.400  12.600  1.00  0.00            
ATOM     19  BB1   G   404      37.200  43.500  19.600  1.00  0.00            
ATOM     20  BB2   G   404      40.500  44.900  19.700  1.00  0.00            
ATOM     21  BB3   G   404      41.000  46.300  18.500  1.00  0.00            
ATOM     22 GSC1   G   404      39.000  45.000  20.100  1.00  0.00            
ATOM     23 GSC2   G   404      36.300  44.300  19.200  1.00  0.00            
ATOM     24 GSC3   G   404      37.500  42.400  21.000  1.00  0.00            
ATOM     25 GSC4   G   404      39.300  44.600  21.600  1.00  0.00            
ATOM     26  BB1   A   405      44.000  45.900  17.000  1.00  0.00            
ATOM     27  BB2   A   405      42.800  42.700  17.500  1.00  0.00            
ATOM     28  BB3   A   405      44.500  42.800  18.700  1.00  0.00            
ATOM     29 ASC1   A   405      42.300  41.200  18.200  1.00  0.00            
ATOM     30 ASC2   A   405      40.600  41.000  19.800  1.00  0.00            
ATOM     31 ASC3   A   405      40.300  38.600  18.900  1.00  0.00            
ATOM     32 ASC4   A   405      42.400  39.900  17.200  1.00  0.00            
ATOM     33  BB1   C   406      43.700  42.300  22.000  1.00  0.00            
ATOM     34  BB2   C   406      46.800  40.100  21.100  1.00  0.00            
ATOM     35  BB3   C   406      45.200  40.300  22.400  1.00  0.00            
ATOM     36 CSC1   C   406      44.900  42.900  22.400  1.00  0.00            
ATOM     37 CSC2   C   406      42.700  42.800  22.500  1.00  0.00            
ATOM     38 CSC3   C   406      43.900  45.200  21.700  1.00  0.00            
ATOM     39  BB1   U   407      42.200  38.500  22.800  1.00  0.00            
ATOM     40  BB2   U   407      44.200  35.700  21.900  1.00  0.00            
ATOM     41  BB3   U   407      43.700  34.300  20.600  1.00  0.00            
ATOM     42 USC1   U   407      42.600  35.800  23.000  1.00  0.00            
ATOM     43 USC2   U   407      42.200  37.800  21.900  1.00  0.00            
ATOM     44 USC3   U   407      42.000  37.800  24.800  1.00  0.00            
ATOM     45  BB1   C   408      44.000  35.000  17.000  1.00  0.00            
ATOM     46  BB2   C   408      41.100  32.800  17.000  1.00  0.00            
ATOM     47  BB3   C   408      42.400  33.700  15.800  1.00  0.00            
ATOM     48 CSC1   C   408      42.600  35.900  17.400  1.00  0.00            
ATOM     49 CSC2   C   408      44.700  36.300  16.800  1.00  0.00            
ATOM     50 CSC3   C   408      43.700  37.600  19.100  1.00  0.00            
ATOM     51  BB1   U   409      41.700  36.300  13.500  1.00  0.00            
ATOM     52  BB2   U   409      39.100  36.500  16.100  1.00  0.00            
ATOM     53  BB3   U   409      37.500  35.400  15.800  1.00  0.00            
ATOM     54 USC1   U   409      39.400  36.800  14.700  1.00  0.00            
ATOM     55 USC2   U   409      40.200  35.700  12.900  1.00  0.00            
ATOM     56 USC3   U   409      42.000  37.700  14.100  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.