文件名称:rxnmd_v1.0
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- 上传时间:2012-11-16
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文件大小:4.03mb
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已下载:1次
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化学反应下分子动力学模拟,里面包含详细的英文说明pdf-molecular dynamics simulation
(系统自动生成,下载前可以参看下载内容)
下载文件列表
v1.0/bin/
v1.0/bin/atom_color.txt
v1.0/bin/error_file.txt
v1.0/bin/ff_type_conv.txt
v1.0/bin/mass.txt
v1.0/bin/mm3.fff
v1.0/bin/mol2bin2.exe
v1.0/bin/run_keywords.txt
v1.0/bin/rxnmd.exe
v1.0/bin/warn_file.txt
v1.0/BuildLog.htm
v1.0/examples/
v1.0/examples/ethane_recomb_scission/
v1.0/examples/ethane_recomb_scission/cc2.rxn
v1.0/examples/ethane_recomb_scission/ethanerecomb
v1.0/examples/ethane_recomb_scission/ethanerecomb.hin
v1.0/examples/ethane_recomb_scission/ethanerecomb.vel
v1.0/examples/ethane_recomb_scission/mm3.fff
v1.0/examples/hin_conversion/
v1.0/examples/hin_conversion/ethane_mmp
v1.0/examples/hin_conversion/ethane_mmp.hin
v1.0/examples/hin_conversion/mm3.fff
v1.0/examples/hin_conversion/mmp_mm3.txt
v1.0/examples/movie_generator/
v1.0/examples/movie_generator/ethanerecomb.hin
v1.0/examples/movie_generator/ethanerecomb.trj
v1.0/examples/movie_generator/mg
v1.0/examples/movie_generator/mm3.fff
v1.0/mdfcar2binary/
v1.0/mdfcar2binary/BC.CPP
v1.0/mdfcar2binary/BC.H
v1.0/mdfcar2binary/binary_consts.h
v1.0/mdfcar2binary/binary_convert.cpp
v1.0/mdfcar2binary/binary_convert.h
v1.0/mdfcar2binary/compare_strings.h
v1.0/mdfcar2binary/constants.h
v1.0/mdfcar2binary/ERROR.H
v1.0/mdfcar2binary/errors.txt
v1.0/mdfcar2binary/find_colon.h
v1.0/mdfcar2binary/h3.car
v1.0/mdfcar2binary/h3.mdf
v1.0/mdfcar2binary/h3.ncf
v1.0/mdfcar2binary/longbinary_convert.cpp
v1.0/mdfcar2binary/longbinary_convert.h
v1.0/mdfcar2binary/mdfcar_data.cpp
v1.0/mdfcar2binary/mdfcar_data.h
v1.0/mdfcar2binary/mdfcar2binary.cpp
v1.0/mdfcar2binary/mdfcar2binary.dsp
v1.0/mdfcar2binary/mdfcar2binary.dsw
v1.0/mdfcar2binary/mdfcar2binary.exe
v1.0/mdfcar2binary/mdfcar2binary.ncb
v1.0/mdfcar2binary/mdfcar2binary.opt
v1.0/mdfcar2binary/mdfcar2binary.plg
v1.0/mdfcar2binary/mdfcar2binary.sln
v1.0/mdfcar2binary/mdfcar2binary.suo
v1.0/mdfcar2binary/mdfcar2binary.vcproj
v1.0/mol2bin2/
v1.0/mol2bin2/assert.c
v1.0/mol2bin2/ASSERT.h
v1.0/mol2bin2/BuildLog.htm
v1.0/mol2bin2/cc_mol2bin2
v1.0/mol2bin2/cc_molecview2
v1.0/mol2bin2/dmalloc.c
v1.0/mol2bin2/egz_stdio.h
v1.0/mol2bin2/lint.h
v1.0/mol2bin2/MALLOC.h
v1.0/mol2bin2/mol_io.c
v1.0/mol2bin2/mol_io.h
v1.0/mol2bin2/mol2bin.c
v1.0/mol2bin2/mol2bin2
v1.0/mol2bin2/mol2bin2.exe
v1.0/mol2bin2/mol2bin2.make
v1.0/mol2bin2/mol2bin2.ncb
v1.0/mol2bin2/mol2bin2.sln
v1.0/mol2bin2/mol2bin2.suo
v1.0/mol2bin2/mol2bin2.vcproj
v1.0/mol2bin2/molec.mlv
v1.0/molecview2/
v1.0/molecview2/ethane.mbv
v1.0/molecview2/molec.ini
v1.0/molecview2/molec.mlv
v1.0/molecview2/molec_0000.zip
v1.0/molecview2/molecview.ini
v1.0/molecview2/molecview2.exe
v1.0/molecview2/molecview2.exp
v1.0/molecview2/movie.avi
v1.0/molecview2/movie_maker.m
v1.0/RxnMD_DOCUMENTATION.pdf
v1.0/src/
v1.0/src/additional_energy.cpp
v1.0/src/additional_energy.h
v1.0/src/analysis_package.cpp
v1.0/src/analysis_package.h
v1.0/src/assert.c
v1.0/src/ASSERT.h
v1.0/src/atom.cpp
v1.0/src/atom.h
v1.0/src/bc.cpp
v1.0/src/bc.h
v1.0/src/berendsen_pressure.cpp
v1.0/src/berendsen_pressure.h
v1.0/src/berendsen_temp.cpp
v1.0/src/berendsen_temp.h
v1.0/src/binary_consts.h
v1.0/src/binary_convert.cpp
v1.0/src/binary_convert.h
v1.0/src/bm_gaussrng.cpp
v1.0/src/bond.cpp
v1.0/src/bond.h
v1.0/src/bond_angle.cpp
v1.0/src/bond_angle.h
v1.0/src/calc_entropy.cpp
v1.0/src/calc_entropy.h
v1.0/src/cet.cpp
v1.0/src/cet.h
v1.0/src/collision.cpp
v1.0/src/collision.h
v1.0/src/compile.h
v1.0/src/constants.h
v1.0/src/constTemp.h
v1.0/src/controller.cpp
v1.0/src/controller.h
v1.0/src/controller_consts.h
v1.0/src/cosine_dihedral.cpp
v1.0/src/cosine_dihedral.h
v1.0/src/depend_var.cpp
v1.0/src/depend_var.h
v1.0/src/dihedral.cpp
v1.0/src/dihedral.h
v1.0/src/distance_distribution.cpp
v1.0/src/distance_distribution.h
v1.0/src/distribution_info.cpp
v1.0/src/distribution_info.h
v1.0/src/dmalloc.c
v1.0/src/dynamics.cpp
v1.0/src/dynamics.h
v1.0/src/egz_stdio.c
v1.0/src/egz_stdio.h
v1.0/src/equildynamics.cpp
v1.0/src/equildynamics.h
v1.0/src/equivalence.cpp
v1.0/src/equivalence.h
v1.0/src/error.cpp
v1.0/src/error.h
v1.0/src/exp6_nonbond.cpp
v1.0/src/exp6_nonbond.h
v1.0/src/file_ff.cpp
v1.0/src/file_ff.h
v1.0/src/file_velocity.cpp
v1.0/src/file_velocity.h
v1.0/src/find_char.cpp
v1.0/src/gasdev.cpp
v1.0/src/harmonic_angle.cpp
v1.0/src/harmonic_angle.h
v1.0/src/initial_pos_corr.cpp
v1.0/src/initial_pos_corr.h
v1.0/src/instruction_reader.cpp
v1.0/src/instruction_reader.h
v1.0/src/integrator.h
v1.0/src/jama/
v1.0/src/jama/jama_cholesky.h
v1.0/src/jama/jama_eig.h
v1.0/src/jama/jama_lu.h
v1.0/src/jama/jama_qr.h
v1.0/src/jama/jama_svd.h
v1.0/src/lammps_convert.cpp
v1.0/src/lammps_convert.h
v1.0/src/lint.h
v1.0/src/lj126_nonbond.cpp
v1.0/src/lj126_nonbond.h
v1.0/src/logfile.cpp
v1.0/src/logfile.h
v1.0/src/longbinary_convert.cpp
v1.0/src/longbinary_convert.h
v1.0/src/MALLOC.h
v1.0/src/math_func.cpp
v1.0/src/max_boltz_vel.cpp
v1.0/src/max_boltz_vel.h
v1.0/src/mesh_mm3vdw_lj.cpp
v1.0/src/mesh_mm3vdw_lj.h
v1.0/src/mesh_mm3vdw_morsevdw.cpp
v1.0/src/mesh_mm3vdw_morsevdw.h
v1.0/src/mesh_quartic_morse.cpp
v1.0/src/mesh_quartic_morse.h
v1.0/src/mm3_angle.cpp
v1.0/src/mm3_angle.h
v1.0/src/mm3_corrquar.cpp
v1.0/src/mm3_corrquar.h
v1.0/src/mm3_quadratic.cpp
v1.0/bin/atom_color.txt
v1.0/bin/error_file.txt
v1.0/bin/ff_type_conv.txt
v1.0/bin/mass.txt
v1.0/bin/mm3.fff
v1.0/bin/mol2bin2.exe
v1.0/bin/run_keywords.txt
v1.0/bin/rxnmd.exe
v1.0/bin/warn_file.txt
v1.0/BuildLog.htm
v1.0/examples/
v1.0/examples/ethane_recomb_scission/
v1.0/examples/ethane_recomb_scission/cc2.rxn
v1.0/examples/ethane_recomb_scission/ethanerecomb
v1.0/examples/ethane_recomb_scission/ethanerecomb.hin
v1.0/examples/ethane_recomb_scission/ethanerecomb.vel
v1.0/examples/ethane_recomb_scission/mm3.fff
v1.0/examples/hin_conversion/
v1.0/examples/hin_conversion/ethane_mmp
v1.0/examples/hin_conversion/ethane_mmp.hin
v1.0/examples/hin_conversion/mm3.fff
v1.0/examples/hin_conversion/mmp_mm3.txt
v1.0/examples/movie_generator/
v1.0/examples/movie_generator/ethanerecomb.hin
v1.0/examples/movie_generator/ethanerecomb.trj
v1.0/examples/movie_generator/mg
v1.0/examples/movie_generator/mm3.fff
v1.0/mdfcar2binary/
v1.0/mdfcar2binary/BC.CPP
v1.0/mdfcar2binary/BC.H
v1.0/mdfcar2binary/binary_consts.h
v1.0/mdfcar2binary/binary_convert.cpp
v1.0/mdfcar2binary/binary_convert.h
v1.0/mdfcar2binary/compare_strings.h
v1.0/mdfcar2binary/constants.h
v1.0/mdfcar2binary/ERROR.H
v1.0/mdfcar2binary/errors.txt
v1.0/mdfcar2binary/find_colon.h
v1.0/mdfcar2binary/h3.car
v1.0/mdfcar2binary/h3.mdf
v1.0/mdfcar2binary/h3.ncf
v1.0/mdfcar2binary/longbinary_convert.cpp
v1.0/mdfcar2binary/longbinary_convert.h
v1.0/mdfcar2binary/mdfcar_data.cpp
v1.0/mdfcar2binary/mdfcar_data.h
v1.0/mdfcar2binary/mdfcar2binary.cpp
v1.0/mdfcar2binary/mdfcar2binary.dsp
v1.0/mdfcar2binary/mdfcar2binary.dsw
v1.0/mdfcar2binary/mdfcar2binary.exe
v1.0/mdfcar2binary/mdfcar2binary.ncb
v1.0/mdfcar2binary/mdfcar2binary.opt
v1.0/mdfcar2binary/mdfcar2binary.plg
v1.0/mdfcar2binary/mdfcar2binary.sln
v1.0/mdfcar2binary/mdfcar2binary.suo
v1.0/mdfcar2binary/mdfcar2binary.vcproj
v1.0/mol2bin2/
v1.0/mol2bin2/assert.c
v1.0/mol2bin2/ASSERT.h
v1.0/mol2bin2/BuildLog.htm
v1.0/mol2bin2/cc_mol2bin2
v1.0/mol2bin2/cc_molecview2
v1.0/mol2bin2/dmalloc.c
v1.0/mol2bin2/egz_stdio.h
v1.0/mol2bin2/lint.h
v1.0/mol2bin2/MALLOC.h
v1.0/mol2bin2/mol_io.c
v1.0/mol2bin2/mol_io.h
v1.0/mol2bin2/mol2bin.c
v1.0/mol2bin2/mol2bin2
v1.0/mol2bin2/mol2bin2.exe
v1.0/mol2bin2/mol2bin2.make
v1.0/mol2bin2/mol2bin2.ncb
v1.0/mol2bin2/mol2bin2.sln
v1.0/mol2bin2/mol2bin2.suo
v1.0/mol2bin2/mol2bin2.vcproj
v1.0/mol2bin2/molec.mlv
v1.0/molecview2/
v1.0/molecview2/ethane.mbv
v1.0/molecview2/molec.ini
v1.0/molecview2/molec.mlv
v1.0/molecview2/molec_0000.zip
v1.0/molecview2/molecview.ini
v1.0/molecview2/molecview2.exe
v1.0/molecview2/molecview2.exp
v1.0/molecview2/movie.avi
v1.0/molecview2/movie_maker.m
v1.0/RxnMD_DOCUMENTATION.pdf
v1.0/src/
v1.0/src/additional_energy.cpp
v1.0/src/additional_energy.h
v1.0/src/analysis_package.cpp
v1.0/src/analysis_package.h
v1.0/src/assert.c
v1.0/src/ASSERT.h
v1.0/src/atom.cpp
v1.0/src/atom.h
v1.0/src/bc.cpp
v1.0/src/bc.h
v1.0/src/berendsen_pressure.cpp
v1.0/src/berendsen_pressure.h
v1.0/src/berendsen_temp.cpp
v1.0/src/berendsen_temp.h
v1.0/src/binary_consts.h
v1.0/src/binary_convert.cpp
v1.0/src/binary_convert.h
v1.0/src/bm_gaussrng.cpp
v1.0/src/bond.cpp
v1.0/src/bond.h
v1.0/src/bond_angle.cpp
v1.0/src/bond_angle.h
v1.0/src/calc_entropy.cpp
v1.0/src/calc_entropy.h
v1.0/src/cet.cpp
v1.0/src/cet.h
v1.0/src/collision.cpp
v1.0/src/collision.h
v1.0/src/compile.h
v1.0/src/constants.h
v1.0/src/constTemp.h
v1.0/src/controller.cpp
v1.0/src/controller.h
v1.0/src/controller_consts.h
v1.0/src/cosine_dihedral.cpp
v1.0/src/cosine_dihedral.h
v1.0/src/depend_var.cpp
v1.0/src/depend_var.h
v1.0/src/dihedral.cpp
v1.0/src/dihedral.h
v1.0/src/distance_distribution.cpp
v1.0/src/distance_distribution.h
v1.0/src/distribution_info.cpp
v1.0/src/distribution_info.h
v1.0/src/dmalloc.c
v1.0/src/dynamics.cpp
v1.0/src/dynamics.h
v1.0/src/egz_stdio.c
v1.0/src/egz_stdio.h
v1.0/src/equildynamics.cpp
v1.0/src/equildynamics.h
v1.0/src/equivalence.cpp
v1.0/src/equivalence.h
v1.0/src/error.cpp
v1.0/src/error.h
v1.0/src/exp6_nonbond.cpp
v1.0/src/exp6_nonbond.h
v1.0/src/file_ff.cpp
v1.0/src/file_ff.h
v1.0/src/file_velocity.cpp
v1.0/src/file_velocity.h
v1.0/src/find_char.cpp
v1.0/src/gasdev.cpp
v1.0/src/harmonic_angle.cpp
v1.0/src/harmonic_angle.h
v1.0/src/initial_pos_corr.cpp
v1.0/src/initial_pos_corr.h
v1.0/src/instruction_reader.cpp
v1.0/src/instruction_reader.h
v1.0/src/integrator.h
v1.0/src/jama/
v1.0/src/jama/jama_cholesky.h
v1.0/src/jama/jama_eig.h
v1.0/src/jama/jama_lu.h
v1.0/src/jama/jama_qr.h
v1.0/src/jama/jama_svd.h
v1.0/src/lammps_convert.cpp
v1.0/src/lammps_convert.h
v1.0/src/lint.h
v1.0/src/lj126_nonbond.cpp
v1.0/src/lj126_nonbond.h
v1.0/src/logfile.cpp
v1.0/src/logfile.h
v1.0/src/longbinary_convert.cpp
v1.0/src/longbinary_convert.h
v1.0/src/MALLOC.h
v1.0/src/math_func.cpp
v1.0/src/max_boltz_vel.cpp
v1.0/src/max_boltz_vel.h
v1.0/src/mesh_mm3vdw_lj.cpp
v1.0/src/mesh_mm3vdw_lj.h
v1.0/src/mesh_mm3vdw_morsevdw.cpp
v1.0/src/mesh_mm3vdw_morsevdw.h
v1.0/src/mesh_quartic_morse.cpp
v1.0/src/mesh_quartic_morse.h
v1.0/src/mm3_angle.cpp
v1.0/src/mm3_angle.h
v1.0/src/mm3_corrquar.cpp
v1.0/src/mm3_corrquar.h
v1.0/src/mm3_quadratic.cpp
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