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======= test_0010.test =======
======= exitvalue =======
0
======= stderr =======
cutover to fine tolerance at 3
linearMinimize allocated 0 instead of 1
minimize allocated 0 instead of 1
======= stdout =======
iters per frame = 10
number of frames = 100
timestep = 1.000000e-16
temp = 0.000000
dump as text
< test_0010.mmp > test_0010.xyz
final RMS gradient=7582.712038 after 5 iterations
======= test_0010.trc =======
# nanoENGINEER-1.com Simulator Trace File, Version 050310
#
# Date and Time: Mon Nov 21 18:46:01 2005
# Input File:test_0010.mmp
# Output File: test_0010.xyz
# Trace File: test_0010.trc
# Number of Atoms: 8
# Number of Frames: 100
# Steps per Frame: 10
# Temperature: 300.0
#
# 1 columns:
# name: torque (nn-nm)
#
0 4414.89 5119.84
1 7057.31 9108.03
2 7576.21 10302.71
3 7582.72 10317.78
4 7582.71 10317.76
5 7582.71 10317.76
# Done: Minimization final rms: 7582.712038, highForce: 10317.761244
======= test_0010.xyz =======
8
RMS=7582.712038
C -0.431041 -4.006431 0.018021
H -1.179033 -3.273533 -0.732820
H -1.179467 -4.757219 0.750197
H 0.304842 -4.757578 -0.733611
C 0.453592 -3.126018 0.896000
H 1.201107 -3.859214 1.647622
H -0.282590 -2.375349 1.648413
H 1.200589 -2.376658 0.165177
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