======= test_0011.test ======= ======= exitvalue ======= 0 ======= stderr ======= cutover to fine tolerance at 2 ======= stdout ======= iters per frame = 10 number of frames = 100 timestep = 1.000000e-16 temp = 0.000000 dump as text < test_0011.mmp > test_0011.xyz final RMS gradient=3088.163537 after 5 iterations ======= test_0011.trc ======= # nanoENGINEER-1.com Simulator Trace File, Version 050310 # # Date and Time: Mon Nov 21 18:46:01 2005 # Input File:test_0011.mmp # Output File: test_0011.xyz # Trace File: test_0011.trc # Number of Atoms: 15 # Number of Frames: 100 # Steps per Frame: 10 # Temperature: 300.0 # # 0 columns: # 0 3141.31 3508.14 1 3091.14 3465.47 2 3088.33 3463.03 3 3088.17 3462.89 4 3088.16 3462.88 5 3088.16 3462.88 # Done: Minimization final rms: 3088.163537, highForce: 3462.884504 ======= test_0011.xyz ======= 15 RMS=3088.163537 C -2.742203 -1.033957 -0.087676 X -2.527794 -0.535690 0.457268 X -3.420376 -1.347225 0.100024 C -2.873257 -0.296722 -1.434100 X -2.763845 0.456423 -1.324901 X -3.576379 -0.416166 -1.724167 C -1.681713 -2.145181 -0.213062 X -1.128670 -2.032848 0.311219 X -2.013207 -2.830379 -0.095122 C -1.814774 -0.831214 -2.417241 X -1.326625 -0.264749 -2.600952 X -2.163223 -1.087233 -3.055270 C -1.051050 -2.048037 -1.690823 X -1.167229 -2.712274 -2.063241 X -0.294656 -1.910749 -1.638958