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: 22081412293512191

Job options:

ID        	=	 22081412293512191
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= 124000.00000 step= 62000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   52.802   52.802   52.802  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  BB2   C   401      25.800  21.500  37.900  1.00  0.00            
ATOM      2  BB3   C   401      23.300  21.800  37.700  1.00  0.00            
ATOM      3 CSC1   C   401      26.200  23.200  38.100  1.00  0.00            
ATOM      4 CSC2   C   401      25.100  25.100  38.900  1.00  0.00            
ATOM      5 CSC3   C   401      27.700  25.400  37.700  1.00  0.00            
ATOM      6  BB1   G   402      22.100  21.800  34.500  1.00  0.00            
ATOM      7  BB2   G   402      22.400  25.500  36.000  1.00  0.00            
ATOM      8  BB3   G   402      20.900  26.800  35.300  1.00  0.00            
ATOM      9 GSC1   G   402      24.100  26.800  35.500  1.00  0.00            
ATOM     10 GSC2   G   402      25.300  29.600  35.200  1.00  0.00            
ATOM     11 GSC3   G   402      27.200  27.600  34.200  1.00  0.00            
ATOM     12 GSC4   G   402      25.100  25.600  35.100  1.00  0.00            
ATOM     13  BB1   U   403      19.600  26.600  32.400  1.00  0.00            
ATOM     14  BB2   U   403      22.600  28.900  32.000  1.00  0.00            
ATOM     15  BB3   U   403      22.400  31.200  30.900  1.00  0.00            
ATOM     16 USC1   U   403      24.300  28.500  31.700  1.00  0.00            
ATOM     17 USC2   U   403      26.300  29.600  31.600  1.00  0.00            
ATOM     18 USC3   U   403      26.400  26.700  31.200  1.00  0.00            
ATOM     19  BB1   G   404      21.200  31.000  27.800  1.00  0.00            
ATOM     20  BB2   G   404      25.300  30.500  28.000  1.00  0.00            
ATOM     21  BB3   G   404      26.300  31.700  26.400  1.00  0.00            
ATOM     22 GSC1   G   404      26.500  28.700  27.900  1.00  0.00            
ATOM     23 GSC2   G   404      29.100  27.300  28.200  1.00  0.00            
ATOM     24 GSC3   G   404      26.900  25.300  28.000  1.00  0.00            
ATOM     25 GSC4   G   404      25.100  27.700  27.800  1.00  0.00            
ATOM     26  BB1   A   405      25.600  32.100  23.300  1.00  0.00            
ATOM     27  BB2   A   405      29.800  31.000  24.300  1.00  0.00            
ATOM     28  BB3   A   405      31.100  31.700  22.800  1.00  0.00            
ATOM     29 ASC1   A   405      31.000  29.300  25.000  1.00  0.00            
ATOM     30 ASC2   A   405      33.200  28.500  25.300  1.00  0.00            
ATOM     31 ASC3   A   405      31.900  26.100  25.500  1.00  0.00            
ATOM     32 ASC4   A   405      29.800  28.200  24.900  1.00  0.00            
ATOM     33  BB1   C   406      30.700  31.300  19.500  1.00  0.00            
ATOM     34  BB2   C   406      29.900  32.000  16.500  1.00  0.00            
ATOM     35  BB3   C   406      27.600  32.500  15.700  1.00  0.00            
ATOM     36 CSC1   C   406      30.300  30.600  15.600  1.00  0.00            
ATOM     37 CSC2   C   406      30.000  29.800  13.500  1.00  0.00            
ATOM     38 CSC3   C   406      31.400  28.100  15.300  1.00  0.00            
ATOM     39  BB1   U   407      25.100  31.700  17.700  1.00  0.00            
ATOM     40  BB2   U   407      26.500  28.900  15.600  1.00  0.00            
ATOM     41  BB3   U   407      25.000  27.100  14.900  1.00  0.00            
ATOM     42 USC1   U   407      27.900  28.000  16.300  1.00  0.00            
ATOM     43 USC2   U   407      28.500  25.800  16.000  1.00  0.00            
ATOM     44 USC3   U   407      29.600  27.200  18.300  1.00  0.00            
ATOM     45  BB1   C   408      22.300  26.200  16.500  1.00  0.00            
ATOM     46  BB2   C   408      25.500  25.500  18.400  1.00  0.00            
ATOM     47  BB3   C   408      25.100  23.700  20.000  1.00  0.00            
ATOM     48 CSC1   C   408      26.300  26.700  19.500  1.00  0.00            
ATOM     49 CSC2   C   408      27.700  26.500  21.300  1.00  0.00            
ATOM     50 CSC3   C   408      26.700  29.200  20.600  1.00  0.00            
ATOM     51  BB1   U   409      22.700  22.600  21.600  1.00  0.00            
ATOM     52  BB2   U   409      23.300  25.500  23.800  1.00  0.00            
ATOM     53  BB3   U   409      23.200  27.800  22.900  1.00  0.00            
ATOM     54 USC1   U   409      25.000  25.400  24.400  1.00  0.00            
ATOM     55 USC2   U   409      26.500  27.000  24.700  1.00  0.00            
ATOM     56 USC3   U   409      27.400  24.200  24.500  1.00  0.00            
TER
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



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.