CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

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


***    ***

elNémo ID: 2502191537032880541

Job options:

ID        	=	 2502191537032880541
JOBID     	=	 
USERID    	=	 unknown
PRIVAT    	=	 0

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

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:


REMARK  GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON FEB, 11. 2025. JOB
REMARK  READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE          
REMARK   DATE:     2/11/25     11: 2:26      CREATED BY USER: charmm-gui              
ATOM      1  C4' GDP H   1      -1.823  -0.289   0.279  1.00  0.00      HETA
ATOM      2  H4' GDP H   1      -2.402   0.433   0.891  1.00  0.00      HETA
ATOM      3  O4' GDP H   1      -0.502  -0.470   0.849  1.00  0.00      HETA
ATOM      4  C1' GDP H   1       0.470  -0.062  -0.090  1.00  0.00      HETA
ATOM      5  H1' GDP H   1       0.617   1.030   0.049  1.00  0.00      HETA
ATOM      6  N9  GDP H   1       1.764  -0.770   0.065  1.00  0.00      HETA
ATOM      7  C4  GDP H   1       3.009  -0.199   0.202  1.00  0.00      HETA
ATOM      8  N2  GDP H   1       5.112   2.647   0.410  1.00  0.00      HETA
ATOM      9  H21 GDP H   1       6.091   2.817   0.519  1.00  0.00      HETA
ATOM     10  H22 GDP H   1       4.518   3.448   0.334  1.00  0.00      HETA
ATOM     11  N3  GDP H   1       3.282   1.120   0.218  1.00  0.00      HETA
ATOM     12  C2  GDP H   1       4.609   1.379   0.366  1.00  0.00      HETA
ATOM     13  N1  GDP H   1       5.553   0.343   0.484  1.00  0.00      HETA
ATOM     14  H1  GDP H   1       6.524   0.595   0.592  1.00  0.00      HETA
ATOM     15  C6  GDP H   1       5.275  -1.045   0.467  1.00  0.00      HETA
ATOM     16  O6  GDP H   1       6.119  -1.940   0.572  1.00  0.00      HETA
ATOM     17  C5  GDP H   1       3.890  -1.266   0.313  1.00  0.00      HETA
ATOM     18  N7  GDP H   1       3.220  -2.462   0.249  1.00  0.00      HETA
ATOM     19  C8  GDP H   1       1.965  -2.133   0.103  1.00  0.00      HETA
ATOM     20  H8  GDP H   1       1.142  -2.843   0.018  1.00  0.00      HETA
ATOM     21  C2' GDP H   1      -0.162  -0.191  -1.460  1.00  0.00      HETA
ATOM     22 H2'' GDP H   1       0.407   0.435  -2.180  1.00  0.00      HETA
ATOM     23  O2' GDP H   1      -0.173  -1.521  -1.936  1.00  0.00      HETA
ATOM     24  H2' GDP H   1      -1.059  -1.739  -2.235  1.00  0.00      HETA
ATOM     25  C3' GDP H   1      -1.564   0.286  -1.132  1.00  0.00      HETA
ATOM     26  H3' GDP H   1      -1.622   1.394  -1.107  1.00  0.00      HETA
ATOM     27  O3' GDP H   1      -2.562  -0.121  -2.067  1.00  0.00      HETA
ATOM     28  H3T GDP H   1      -3.429   0.050  -1.693  1.00  0.00      HETA
ATOM     29  C5' GDP H   1      -2.690  -1.546   0.504  1.00  0.00      HETA
ATOM     30  H5' GDP H   1      -2.829  -1.685   1.597  1.00  0.00      HETA
ATOM     31 H5'' GDP H   1      -2.151  -2.424   0.090  1.00  0.00      HETA
ATOM     32  O5' GDP H   1      -3.995  -1.498  -0.106  1.00  0.00      HETA
ATOM     33  PA  GDP H   1      -4.996  -0.271   0.083  1.00  0.00      HETA
ATOM     34  O1A GDP H   1      -4.617   0.564  -1.089  1.00  0.00      HETA
ATOM     35  O2A GDP H   1      -4.674   0.243   1.440  1.00  0.00      HETA
ATOM     36  O3A GDP H   1      -6.308  -1.043   0.008  1.00  0.00      HETA
ATOM     37  PB  GDP H   1      -7.642  -0.186  -0.290  1.00  0.00      HETA
ATOM     38  O1B GDP H   1      -7.631   1.122   0.500  1.00  0.00      HETA
ATOM     39  O2B GDP H   1      -8.749  -1.122   0.194  1.00  0.00      HETA
ATOM     40  O3B GDP H   1      -7.690   0.005  -1.803  1.00  0.00      HETA
TER      41      GDP      1
END



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: April 8th, 2025.