# nanoENGINEER-1.com Simulator Trace File, Version 050310 # # uname -a: Linux localhost 2.6.12-12mdk #1 Fri Sep 9 18:15:22 CEST 2005 i686 AMD Athlon(tm) XP 3000+ unknown GNU/Linux # # CFLAGS: -g -Wmissing-prototypes -Wall # LDFLAGS: -L/usr/lib -lm # # Command Line: ./simulator -i100 -f1 --dump-as-text --trace-file test_002_two_methanes_10A_apart_vdw_6.trc test_002_two_methanes_10A_apart_vdw_6.mmp # Date and Time: Wed Apr 19 10:53:25 2006 # Input File: test_002_two_methanes_10A_apart_vdw_6.mmp # Output File: test_002_two_methanes_10A_apart_vdw_6.xyz # Trace File: test_002_two_methanes_10A_apart_vdw_6.trc # # Run type: Dynamics. # # Number of Frames: 1 # Steps per Frame: 100 # Temperature: 300.0 # Number of Atoms: 10 # # 3 columns: # Thermo-46: temperature (K) # Thermo-48: temperature (K) # Distance-49: distance (angstroms) # # Time T.meter T.meter Distance # picosec Thermo-46 Thermo-48 Distance-49 # 0.0100 420.17 207.10 10.0220 # Done: