moltemplate-2.10.16

说明：  Package to prepare data for Lammps

moltemplate-2.10.16\.gitignore, 2908 , 2019-05-30
moltemplate-2.10.16\.travis.yml, 677 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual.pdf, 775712 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\2bead_monomer.jpg, 3532 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\2bead_polymer.jpg, 15000 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\2bead_polymers_nopbc_t=0_LR.jpg, 39690 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\2bead_polymers_t=100ps_LR.jpg, 25081 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\author_email.png, 3029 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\delete_holes1.jpg, 23407 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\lipid_bilayer_mixture.jpg, 48725 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\lipid_bilayer_vacancies.jpg, 50266 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\moltemplate_manual.tex, 240879 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\mol_complex%2Bmol_complex0_transparent_LR.jpg, 16889 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\mol_complex_LR.jpg, 11991 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\random_2bead.jpg, 2713 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\random_3bead.jpg, 4410 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\random_heteropolymer.jpg, 31115 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\README.txt, 252 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\refs.bib, 4724 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\single_water_LR.jpg, 4537 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\tether.jpg, 2798 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\waterSPCEx1000_LR.jpg, 46575 , 2019-05-30
moltemplate-2.10.16\doc\moltemplate_manual_src\waterSPCEx1000_t=25_LR.jpg, 32992 , 2019-05-30
moltemplate-2.10.16\doc\utils\docs_dump2data.txt, 7003 , 2019-05-30
moltemplate-2.10.16\doc\utils\docs_extract_lammps_data.txt, 2093 , 2019-05-30
moltemplate-2.10.16\doc\utils\docs_genpoly_lt.txt, 12255 , 2019-05-30
moltemplate-2.10.16\doc\utils\docs_raw2data.txt, 2396 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\moltemplate_files\benzene.lt, 1909 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\moltemplate_files\system.lt, 320 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\README.txt, 267 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\README_remove_irrelevant_info.sh, 447 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\README_run.sh, 1828 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\README_setup.sh, 974 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\README_visualize.txt, 2905 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\run.in.npt, 2302 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\benzene\run.in.nvt, 1630 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\images\benzene.jpg, 15032 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\images\ethylene%2Bbenzene_50bar_t=100000_LR.jpg, 36911 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\images\ethylene%2Bbenzene_t=0_LR.jpg, 52598 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\images\ethylene.jpg, 11657 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\moltemplate_files\benzene.lt, 1982 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\moltemplate_files\charges_come_from_OPLSAA\oplsaa_subset.prm, 3299 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\moltemplate_files\ethylene.lt, 1399 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\moltemplate_files\system.lt, 897 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\README.txt, 368 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\README_remove_irrelevant_info.sh, 447 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\README_run.sh, 1828 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\README_setup.sh, 973 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\README_visualize.txt, 2915 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\run.in.npt, 1836 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\ethylene%2Bbenzene\run.in.nvt, 1514 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\images\hexadecane_12x12x2_t=0_LR.jpg, 27017 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\images\hexadecane_12x12x2_t=10ps_npt_LR.jpg, 36181 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\images\hexadecane_LR.jpg, 5237 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\moltemplate_files\ch2group.lt, 2250 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\moltemplate_files\ch3group.lt, 2681 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\moltemplate_files\hexadecane.lt, 3067 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\moltemplate_files\system.lt, 604 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\README.txt, 1999 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\README_remove_irrelevant_info.sh, 447 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\README_run.sh, 1828 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\README_setup.sh, 974 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\README_visualize.txt, 2905 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\run.in.npt, 2912 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\run.in.nvt, 1396 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\hexadecane\WARNING.txt, 686 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\WARNING.txt, 2145 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\images\isobutane.jpg, 24301 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\images\water%2Bisobutane_t=0_LR.jpg, 104035 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\images\water%2Bisobutane_t=840ps_LR.jpg, 73375 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\images\water.jpg, 10076 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\moltemplate_files\isobutane.lt, 2364 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\moltemplate_files\system.lt, 974 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\README.txt, 1501 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\README_remove_irrelevant_info.sh, 447 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\README_run.sh, 1828 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\README_setup.sh, 837 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\README_visualize.txt, 2905 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\run.in.npt, 1409 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_AMBER\waterTIP3P%2Bisobutane\run.in.nvt, 1805 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\images\ch2_ry90.jpg, 4680 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\images\ch3_ry60.jpg, 6951 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\images\t=0.jpg, 51583 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\images\t=1ns.jpg, 60111 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\moltemplate_files\alkane50.lt, 5835 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\moltemplate_files\ch2group.lt, 2427 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\moltemplate_files\ch3group.lt, 2534 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\moltemplate_files\system.lt, 860 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\README.txt, 1577 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\README_remove_irrelevant_info.sh, 431 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\README_run.sh, 1448 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\README_setup.sh, 972 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\README_visualize.txt, 2905 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\run.in.min, 1086 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\alkane_chain_single\run.in.nvt, 1207 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\butane\images\after_pressure_equilibration_LR.jpg, 28251 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\butane\images\butane.jpg, 4606 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\butane\images\ch2_ry90.jpg, 4680 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\butane\images\ch3_ry60.jpg, 3161 , 2019-05-30
moltemplate-2.10.16\examples\all_atom\force_field_COMPASS\butane\images\initial_configuration_LR.jpg, 29167 , 2019-05-30