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.


***  noca_cutoff10_1  ***

elNémo ID: 210113072106106038

Job options:

ID        	=	 210113072106106038
JOBID     	=	 noca_cutoff10_1
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 10
CAONLY    	=	 0


Input data for this run:

HEADER noca_cutoff10_1

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700600.00000 step= 350300000
REMARK    THIS IS A SIMULATION BOX
CRYST1   80.271   80.271   80.271  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     -30.190 -43.650 164.530  1.00  0.00           C
ATOM      2  CA  CYS     3     -33.190 -41.280 164.910  1.00  0.00           C
ATOM      3  CA  PRO     4     -32.100 -37.650 164.850  1.00  0.00           C
ATOM      4  CA  LEU     5     -32.220 -37.010 168.690  1.00  0.00           C
ATOM      5  CA  GLU     6     -30.200 -40.220 169.240  1.00  0.00           C
ATOM      6  CA  LYS     7     -27.880 -38.480 166.800  1.00  0.00           C
ATOM      7  CA  ALA     8     -27.960 -35.190 168.820  1.00  0.00           C
ATOM      8  CA  LEU     9     -27.140 -37.020 172.070  1.00  0.00           C
ATOM      9  CA  ASP    10     -24.190 -39.070 170.640  1.00  0.00           C
ATOM     10  CA  VAL    11     -22.360 -36.100 168.850  1.00  0.00           C
ATOM     11  CA  MET    12     -22.960 -33.940 172.010  1.00  0.00           C
ATOM     12  CA  VAL    13     -20.000 -35.880 173.780  1.00  0.00           C
ATOM     13  CA  SER    14     -17.610 -36.370 170.720  1.00  0.00           C
ATOM     14  CA  THR    15     -17.500 -32.660 170.190  1.00  0.00           C
ATOM     15  CA  PHE    16     -16.380 -32.430 173.820  1.00  0.00           C
ATOM     16  CA  HIS    17     -13.760 -35.450 173.410  1.00  0.00           C
ATOM     17  CA  LYS    18     -12.150 -33.670 170.370  1.00  0.00           C
ATOM     18  CA  TYR    19     -10.970 -30.940 172.980  1.00  0.00           C
ATOM     19  CA  SER    20     -10.880 -32.680 176.460  1.00  0.00           C
ATOM     20  CA  GLY    21      -8.730 -35.060 178.500  1.00  0.00           C
ATOM     21  CA  LYS    22      -5.430 -33.350 177.420  1.00  0.00           C
ATOM     22  CA  GLU    23      -4.520 -31.980 180.950  1.00  0.00           C
ATOM     23  CA  GLY    24      -5.820 -34.750 183.250  1.00  0.00           C
ATOM     24  CA  ASP    25      -9.490 -35.830 183.710  1.00  0.00           C
ATOM     25  CA  LYS    26     -11.180 -37.080 180.360  1.00  0.00           C
ATOM     26  CA  PHE    27     -14.520 -35.480 181.540  1.00  0.00           C
ATOM     27  CA  LYS    28     -12.580 -32.110 181.860  1.00  0.00           C
ATOM     28  CA  LEU    29     -12.070 -29.350 179.220  1.00  0.00           C
ATOM     29  CA  ASN    30      -9.740 -26.300 179.370  1.00  0.00           C
ATOM     30  CA  LYS    31     -11.750 -23.030 179.030  1.00  0.00           C
ATOM     31  CA  SER    32      -9.610 -21.650 176.070  1.00  0.00           C
ATOM     32  CA  GLU    33     -10.320 -24.870 174.180  1.00  0.00           C
ATOM     33  CA  LEU    34     -14.060 -24.530 175.070  1.00  0.00           C
ATOM     34  CA  LYS    35     -13.800 -21.120 173.290  1.00  0.00           C
ATOM     35  CA  GLU    36     -12.300 -23.150 170.340  1.00  0.00           C
ATOM     36  CA  LEU    37     -15.090 -25.850 170.480  1.00  0.00           C
ATOM     37  CA  LEU    38     -17.930 -23.190 170.430  1.00  0.00           C
ATOM     38  CA  THR    39     -16.240 -21.360 167.580  1.00  0.00           C
ATOM     39  CA  ARG    40     -15.280 -24.560 165.430  1.00  0.00           C
ATOM     40  CA  GLU    41     -17.880 -27.320 165.870  1.00  0.00           C
ATOM     41  CA  LEU    42     -20.610 -24.660 165.420  1.00  0.00           C
ATOM     42  CA  PRO    43     -19.110 -22.900 162.300  1.00  0.00           C
ATOM     43  CA  SER    44     -22.360 -21.260 161.220  1.00  0.00           C
ATOM     44  CA  PHE    45     -25.280 -22.080 163.670  1.00  0.00           C
ATOM     45  CA  LEU    46     -24.670 -18.970 166.000  1.00  0.00           C
ATOM     46  CA  GLY    47     -24.240 -16.710 162.910  1.00  0.00           C
ATOM     47  CA  LYS    48     -28.140 -16.660 162.690  1.00  0.00           C
ATOM     48  CA  ARG    49     -31.120 -15.870 165.080  1.00  0.00           C
ATOM     49  CA  THR    50     -29.060 -14.740 168.090  1.00  0.00           C
ATOM     50  CA  ASP    51     -27.700 -11.890 170.140  1.00  0.00           C
ATOM     51  CA  GLU    52     -24.330 -10.830 168.850  1.00  0.00           C
ATOM     52  CA  ALA    53     -23.700  -9.240 172.370  1.00  0.00           C
ATOM     53  CA  ALA    54     -24.520 -12.490 174.310  1.00  0.00           C
ATOM     54  CA  PHE    55     -22.120 -14.340 171.880  1.00  0.00           C
ATOM     55  CA  GLN    56     -19.230 -11.810 172.360  1.00  0.00           C
ATOM     56  CA  LYS    57     -19.480 -11.730 176.170  1.00  0.00           C
ATOM     57  CA  LEU    58     -19.250 -15.520 176.410  1.00  0.00           C
ATOM     58  CA  MET    59     -16.210 -15.480 174.030  1.00  0.00           C
ATOM     59  CA  SER    60     -14.390 -13.040 176.390  1.00  0.00           C
ATOM     60  CA  ASN    61     -15.270 -14.860 179.750  1.00  0.00           C
ATOM     61  CA  LEU    62     -13.210 -18.060 179.140  1.00  0.00           C
ATOM     62  CA  ASP    63      -9.690 -17.840 177.800  1.00  0.00           C
ATOM     63  CA  SER    64      -8.270 -16.160 180.970  1.00  0.00           C
ATOM     64  CA  ASN    65     -10.530 -16.310 184.050  1.00  0.00           C
ATOM     65  CA  ARG    66     -10.990 -16.820 187.950  1.00  0.00           C
ATOM     66  CA  ASP    67     -10.990 -20.600 187.170  1.00  0.00           C
ATOM     67  CA  ASN    68      -9.820 -22.110 183.980  1.00  0.00           C
ATOM     68  CA  GLU    69     -11.400 -25.590 183.260  1.00  0.00           C
ATOM     69  CA  VAL    70     -14.880 -27.180 183.200  1.00  0.00           C
ATOM     70  CA  ASP    71     -16.340 -30.720 183.770  1.00  0.00           C
ATOM     71  CA  PHE    72     -19.240 -32.390 181.860  1.00  0.00           C
ATOM     72  CA  GLN    73     -21.760 -31.840 184.710  1.00  0.00           C
ATOM     73  CA  GLU    74     -20.800 -28.080 183.930  1.00  0.00           C
ATOM     74  CA  TYR    75     -20.670 -28.310 180.100  1.00  0.00           C
ATOM     75  CA  CYS    76     -24.400 -29.220 180.290  1.00  0.00           C
ATOM     76  CA  VAL    77     -25.070 -25.710 181.830  1.00  0.00           C
ATOM     77  CA  PHE    78     -23.120 -23.930 179.070  1.00  0.00           C
ATOM     78  CA  LEU    79     -24.940 -26.330 176.380  1.00  0.00           C
ATOM     79  CA  SER    80     -28.350 -25.360 177.950  1.00  0.00           C
ATOM     80  CA  CYS    81     -27.520 -21.660 177.860  1.00  0.00           C
ATOM     81  CA  ILE    82     -26.220 -21.740 174.190  1.00  0.00           C
ATOM     82  CA  ALA    83     -29.360 -23.670 173.160  1.00  0.00           C
ATOM     83  CA  MET    84     -31.840 -21.380 174.960  1.00  0.00           C
ATOM     84  CA  MET    85     -29.890 -18.340 173.330  1.00  0.00           C
ATOM     85  CA  CYS    86     -30.560 -19.970 169.850  1.00  0.00           C
ATOM     86  CA  ASN    87     -34.260 -20.550 170.980  1.00  0.00           C
ATOM     87  CA  GLU    88     -34.980 -16.970 172.560  1.00  0.00           C
ATOM     88  CA  PHE    89     -32.310 -14.890 170.580  1.00  0.00           C
ATOM     89  CA  PHE    90     -30.670 -13.190 173.650  1.00  0.00           C
ATOM     90  CA  GLU    91     -32.410 -14.840 176.680  1.00  0.00           C
ATOM     91  CA  GLY    92     -30.160 -17.900 177.180  1.00  0.00           C
ATOM     92  CA  PHE    93     -27.710 -16.150 179.590  1.00  0.00           C
ATOM     93  CA  PRO    94     -27.330 -13.130 181.980  1.00  0.00           C
ATOM     94  CA  ALA     2     -25.140 -27.710 158.810  1.00  0.00           C
ATOM     95  CA  CYS     3     -22.570 -29.730 160.740  1.00  0.00           C
ATOM     96  CA  PRO     4     -23.450 -32.520 163.280  1.00  0.00           C
ATOM     97  CA  LEU     5     -23.570 -30.410 166.570  1.00  0.00           C
ATOM     98  CA  GLU     6     -25.470 -27.780 164.500  1.00  0.00           C
ATOM     99  CA  LYS     7     -28.240 -30.450 163.840  1.00  0.00           C
ATOM    100  CA  ALA     8     -28.050 -31.700 167.480  1.00  0.00           C
ATOM    101  CA  LEU     9     -28.880 -28.260 169.150  1.00  0.00           C
ATOM    102  CA  ASP    10     -31.690 -27.980 166.570  1.00  0.00           C
ATOM    103  CA  VAL    11     -33.590 -31.250 167.310  1.00  0.00           C
ATOM    104  CA  MET    12     -33.070 -30.470 171.070  1.00  0.00           C
ATOM    105  CA  VAL    13     -35.480 -27.560 170.390  1.00  0.00           C
ATOM    106  CA  SER    14     -37.920 -29.170 167.850  1.00  0.00           C
ATOM    107  CA  THR    15     -38.350 -32.300 169.910  1.00  0.00           C
ATOM    108  CA  PHE    16     -39.060 -30.080 172.950  1.00  0.00           C
ATOM    109  CA  HIS    17     -41.510 -27.900 170.910  1.00  0.00           C
ATOM    110  CA  LYS    18     -43.300 -31.280 170.120  1.00  0.00           C
ATOM    111  CA  TYR    19     -44.400 -31.850 173.740  1.00  0.00           C
ATOM    112  CA  SER    20     -44.020 -28.520 175.500  1.00  0.00           C
ATOM    113  CA  GLY    21     -47.040 -26.240 176.020  1.00  0.00           C
ATOM    114  CA  LYS    22     -50.680 -26.420 174.690  1.00  0.00           C
ATOM    115  CA  GLU    23     -51.460 -22.720 174.060  1.00  0.00           C
ATOM    116  CA  GLY    24     -48.100 -21.480 172.700  1.00  0.00           C
ATOM    117  CA  ASP    25     -46.640 -22.120 176.210  1.00  0.00           C
ATOM    118  CA  LYS    26     -43.790 -24.150 174.600  1.00  0.00           C
ATOM    119  CA  PHE    27     -41.300 -22.740 177.360  1.00  0.00           C
ATOM    120  CA  LYS    28     -41.870 -25.800 179.560  1.00  0.00           C
ATOM    121  CA  LEU    29     -42.700 -29.530 179.410  1.00  0.00           C
ATOM    122  CA  ASN    30     -44.930 -31.710 181.660  1.00  0.00           C
ATOM    123  CA  LYS    31     -42.800 -34.520 183.370  1.00  0.00           C
ATOM    124  CA  SER    32     -45.400 -37.110 182.180  1.00  0.00           C
ATOM    125  CA  GLU    33     -44.840 -35.840 178.460  1.00  0.00           C
ATOM    126  CA  LEU    34     -41.040 -35.880 179.070  1.00  0.00           C
ATOM    127  CA  LYS    35     -41.760 -39.520 179.770  1.00  0.00           C
ATOM    128  CA  GLU    36     -43.500 -39.820 176.300  1.00  0.00           C
ATOM    129  CA  LEU    37     -40.430 -37.920 174.810  1.00  0.00           C
ATOM    130  CA  LEU    38     -38.030 -40.470 176.270  1.00  0.00           C
ATOM    131  CA  THR    39     -39.930 -43.630 175.090  1.00  0.00           C
ATOM    132  CA  ARG    40     -40.960 -42.130 171.650  1.00  0.00           C
ATOM    133  CA  GLU    41     -37.880 -40.050 170.580  1.00  0.00           C
ATOM    134  CA  LEU    42     -34.940 -42.160 171.780  1.00  0.00           C
ATOM    135  CA  PRO    43     -36.070 -45.750 171.030  1.00  0.00           C
ATOM    136  CA  SER    44     -32.600 -47.490 171.390  1.00  0.00           C
ATOM    137  CA  PHE    45     -30.390 -44.800 172.990  1.00  0.00           C
ATOM    138  CA  LEU    46     -31.840 -45.330 176.500  1.00  0.00           C
ATOM    139  CA  GLY    47     -30.470 -48.880 176.400  1.00  0.00           C
ATOM    140  CA  LYS    48     -26.960 -47.360 175.450  1.00  0.00           C
ATOM    141  CA  ARG    49     -26.500 -46.450 179.170  1.00  0.00           C
ATOM    142  CA  THR    50     -22.940 -47.380 180.400  1.00  0.00           C
ATOM    143  CA  ASP    51     -23.900 -47.080 184.210  1.00  0.00           C
ATOM    144  CA  GLU    52     -27.160 -48.040 186.080  1.00  0.00           C
ATOM    145  CA  ALA    53     -26.750 -46.140 189.410  1.00  0.00           C
ATOM    146  CA  ALA    54     -27.050 -43.230 187.000  1.00  0.00           C
ATOM    147  CA  PHE    55     -30.430 -44.600 185.700  1.00  0.00           C
ATOM    148  CA  GLN    56     -31.600 -45.230 189.340  1.00  0.00           C
ATOM    149  CA  LYS    57     -30.660 -41.540 190.160  1.00  0.00           C
ATOM    150  CA  LEU    58     -32.210 -40.010 186.950  1.00  0.00           C
ATOM    151  CA  MET    59     -35.410 -42.140 187.140  1.00  0.00           C
ATOM    152  CA  SER    60     -35.870 -40.820 190.780  1.00  0.00           C
ATOM    153  CA  ASN    61     -36.150 -37.330 189.210  1.00  0.00           C
ATOM    154  CA  LEU    62     -39.470 -38.680 187.610  1.00  0.00           C
ATOM    155  CA  ASP    63     -40.790 -39.480 191.160  1.00  0.00           C
ATOM    156  CA  SER    64     -43.810 -37.920 193.070  1.00  0.00           C
ATOM    157  CA  ASN    65     -41.570 -36.140 195.600  1.00  0.00           C
ATOM    158  CA  ARG    66     -40.350 -33.860 192.720  1.00  0.00           C
ATOM    159  CA  ASP    67     -41.440 -30.810 190.440  1.00  0.00           C
ATOM    160  CA  ASN    68     -44.100 -31.670 187.680  1.00  0.00           C
ATOM    161  CA  GLU    69     -42.230 -29.810 184.850  1.00  0.00           C
ATOM    162  CA  VAL    70     -38.950 -29.080 183.060  1.00  0.00           C
ATOM    163  CA  ASP    71     -38.230 -25.740 181.310  1.00  0.00           C
ATOM    164  CA  PHE    72     -35.500 -25.620 178.630  1.00  0.00           C
ATOM    165  CA  GLN    73     -32.620 -24.730 181.240  1.00  0.00           C
ATOM    166  CA  GLU    74     -33.290 -27.990 183.150  1.00  0.00           C
ATOM    167  CA  TYR    75     -34.560 -30.090 180.170  1.00  0.00           C
ATOM    168  CA  CYS    76     -31.370 -29.370 178.020  1.00  0.00           C
ATOM    169  CA  VAL    77     -29.350 -30.570 181.070  1.00  0.00           C
ATOM    170  CA  PHE    78     -31.580 -33.750 181.540  1.00  0.00           C
ATOM    171  CA  LEU    79     -30.840 -34.950 177.960  1.00  0.00           C
ATOM    172  CA  SER    80     -27.200 -33.880 178.170  1.00  0.00           C
ATOM    173  CA  CYS    81     -27.020 -36.190 181.360  1.00  0.00           C
ATOM    174  CA  ILE    82     -28.320 -38.970 179.090  1.00  0.00           C
ATOM    175  CA  ALA    83     -25.810 -38.220 176.400  1.00  0.00           C
ATOM    176  CA  MET    84     -22.790 -38.730 178.780  1.00  0.00           C
ATOM    177  CA  MET    85     -24.480 -41.580 180.690  1.00  0.00           C
ATOM    178  CA  CYS    86     -24.690 -43.380 177.410  1.00  0.00           C
ATOM    179  CA  ASN    87     -21.110 -42.480 176.250  1.00  0.00           C
ATOM    180  CA  GLU    88     -18.430 -45.340 176.060  1.00  0.00           C
ATOM    181  CA  PHE    89     -16.000 -43.900 178.590  1.00  0.00           C
ATOM    182  CA  PHE    90     -18.420 -43.470 181.410  1.00  0.00           C
ATOM    183  CA  GLU    91     -17.530 -44.660 184.970  1.00  0.00           C
ATOM    184  CA  GLY    92     -20.810 -43.520 186.540  1.00  0.00           C
ATOM    185  CA  PHE    93     -21.600 -40.130 188.360  1.00  0.00           C
ATOM    186  CA  PRO    94     -19.340 -39.230 191.380  1.00  0.00           C
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.