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rxnmd_v1.0

  • Category : Algorithm
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  • Update : 2012-11-26
  • Size : 4.03mb
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  • Author :w****
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Introduction - If you have any usage issues, please Google them yourself
molecular dynamics simulation
Packet file list
(Preview for download)
v1.0\bin
....\...\atom_color.txt
....\...\error_file.txt
....\...\ff_type_conv.txt
....\...\mass.txt
....\...\mm3.fff
....\...\mol2bin2.exe
....\...\run_keywords.txt
....\...\rxnmd.exe
....\...\warn_file.txt
....\BuildLog.htm
....\examples
....\........\ethane_recomb_scission
....\........\......................\cc2.rxn
....\........\......................\ethanerecomb
....\........\......................\ethanerecomb.hin
....\........\......................\ethanerecomb.vel
....\........\......................\mm3.fff
....\........\hin_conversion
....\........\..............\ethane_mmp
....\........\..............\ethane_mmp.hin
....\........\..............\mm3.fff
....\........\..............\mmp_mm3.txt
....\........\movie_generator
....\........\...............\ethanerecomb.hin
....\........\...............\ethanerecomb.trj
....\........\...............\mg
....\........\...............\mm3.fff
....\mdfcar2binary
....\.............\BC.CPP
....\.............\BC.H
....\.............\binary_consts.h
....\.............\binary_convert.cpp
....\.............\binary_convert.h
....\.............\compare_strings.h
....\.............\constants.h
....\.............\ERROR.H
....\.............\errors.txt
....\.............\find_colon.h
....\.............\h3.car
....\.............\h3.mdf
....\.............\h3.ncf
....\.............\longbinary_convert.cpp
....\.............\longbinary_convert.h
....\.............\mdfcar_data.cpp
....\.............\mdfcar_data.h
....\.............\mdfcar2binary.cpp
....\.............\mdfcar2binary.dsp
....\.............\mdfcar2binary.dsw
....\.............\mdfcar2binary.exe
....\.............\mdfcar2binary.ncb
....\.............\mdfcar2binary.opt
....\.............\mdfcar2binary.plg
....\.............\mdfcar2binary.sln
....\.............\mdfcar2binary.suo
....\.............\mdfcar2binary.vcproj
....\mol2bin2
....\........\assert.c
....\........\ASSERT.h
....\........\BuildLog.htm
....\........\cc_mol2bin2
....\........\cc_molecview2
....\........\dmalloc.c
....\........\egz_stdio.h
....\........\lint.h
....\........\MALLOC.h
....\........\mol_io.c
....\........\mol_io.h
....\........\mol2bin.c
....\........\mol2bin2
....\........\mol2bin2.exe
....\........\mol2bin2.make
....\........\mol2bin2.ncb
....\........\mol2bin2.sln
....\........\mol2bin2.suo
....\........\mol2bin2.vcproj
....\........\molec.mlv
....\molecview2
....\..........\ethane.mbv
....\..........\molec.ini
....\..........\molec.mlv
....\..........\molec_0000.zip
....\..........\molecview.ini
....\..........\molecview2.exe
....\..........\molecview2.exp
....\..........\movie.avi
....\..........\movie_maker.m
....\RxnMD_DOCUMENTATION.pdf
....\src
....\...\additional_energy.cpp
....\...\additional_energy.h
....\...\analysis_package.cpp
....\...\analysis_package.h
....\...\assert.c
....\...\ASSERT.h
....\...\atom.cpp
....\...\atom.h
....\...\bc.cpp
....\...\bc.h
....\...\berendsen_pressure.cpp
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