# This file was created Wed Apr 27 15:55:11 2016 # Created by: # GROMACS: gmx mdrun, VERSION 5.0.8-dev-20160314-feda4b7 (double precision) # Executable: /home/ckutzne/Documents/2016/gmx-reference-double/bin/gmx_d # Library dir: /home/ckutzne/Documents/2016/gmx-reference-double/share/gromacs/top # Command line: # gmx_d mdrun -quiet -ei sam.edi -eo edsam.xvg # gmx_d is part of G R O M A C S: # # Groningen Machine for Chemical Simulation # @ title "Essential dynamics / flooding output" @ xaxis label "Time (ps)" @ yaxis label "RMSDs (nm), projections on EVs (nm), ..." @TYPE xy # Output will be written every 1 step # # Summary of applied con/restraints for the ED group # Atoms in average structure: 4 # monitor : 0 vecs # LINFIX : 1 vec # LINACC : 0 vecs # RADFIX : 0 vecs # RADACC : 0 vecs # RADCON : 0 vecs # FLOODING : 0 vecs @ view 0.15, 0.15, 0.75, 0.85 @ legend on @ legend box on @ legend loctype view @ legend 0.78, 0.8 @ legend length 2 @ s0 legend " RMSD to ref (nm)" @ s1 legend " EV1prjLINFIX (nm)" # # Legend for 0 columns of flooding plus 2 columns of essential dynamics data: # time RMSD to ref EV1prjLINFIX 0.000000 0.000599 -1.17289e-02 0.001000 0.001186 -1.04289e-02 0.002000 0.001799 -9.12895e-03 0.003000 0.002528 -7.82897e-03 0.004000 0.003491 -6.52898e-03 0.005000 0.004784 -5.22899e-03 0.006000 0.006455 -3.92900e-03 0.007000 0.008505 -2.62901e-03 0.008000 0.010906 -1.32902e-03 0.009000 0.013611 -2.90270e-05 0.010000 0.016562 1.27097e-03 0.011000 0.019641 2.57096e-03 0.012000 0.022852 3.87095e-03 0.013000 0.026151 5.17094e-03 0.014000 0.029504 6.47094e-03 0.015000 0.032890 7.77093e-03 0.016000 0.036308 9.07092e-03 0.017000 0.039768 1.03709e-02 0.018000 0.043295 1.16709e-02 0.019000 0.046924 1.29709e-02 0.020000 0.050693 1.42709e-02 0.021000 0.054561 1.55709e-02 0.022000 0.058617 1.68709e-02 0.023000 0.062835 1.81708e-02 0.024000 0.067104 1.94708e-02 0.025000 0.071180 2.07708e-02 0.026000 0.074655 2.20708e-02 0.027000 0.077083 2.33708e-02 0.028000 0.078320 2.46708e-02 0.029000 0.078661 2.59707e-02 0.030000 0.078523 2.72707e-02 0.031000 0.078199 2.85707e-02 0.032000 0.077858 2.98707e-02 0.033000 0.077629 3.11707e-02 0.034000 0.077617 3.24707e-02 0.035000 0.077844 3.37706e-02 0.036000 0.078127 3.50706e-02 0.037000 0.078018 3.63706e-02 0.038000 0.077020 3.76706e-02 0.039000 0.075167 3.89706e-02 0.040000 0.073205 4.02706e-02 0.041000 0.072160 4.15706e-02 0.042000 0.072871 4.28706e-02 0.043000 0.075967 4.41706e-02 0.044000 0.082262 4.54706e-02 0.045000 0.091761 4.67706e-02 0.046000 0.103837 4.80706e-02 0.047000 0.111950 4.93706e-02 0.048000 0.120691 5.06706e-02 0.049000 0.128482 5.19705e-02 0.050000 0.134004 5.32705e-02