Diffusion lammps 12150ffa7397

add moltemplate version 2017-8-22
12150ffa7397
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Aug 23 2017, 13:54.

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add moltemplate version 2017-8-22

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Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Aug 23 2017, 13:54

Pushed

junge

Oct 19 2017, 09:53

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rLAMMPS57aafba7c3bd: remove old moltemplate version

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS12150ffa7397: add moltemplate version 2017-8-22 (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Aug 23 2017, 13:54

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		Path
A	(dir)	tools/moltemplate/
A		tools/moltemplate/LICENSE.md
A		tools/moltemplate/README.md
A	(dir)	tools/moltemplate/doc/
A		tools/moltemplate/doc/moltemplate_manual.pdf
A	(dir)	tools/moltemplate/doc/moltemplate_manual_src/
A		tools/moltemplate/doc/moltemplate_manual_src/2bead_peptide.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/2bead_peptides_nopbc_t=0_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/2bead_peptides_t=100ps_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/2bead_residue.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/README.txt
A		tools/moltemplate/doc/moltemplate_manual_src/author_email.png
A		tools/moltemplate/doc/moltemplate_manual_src/delete_holes1.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/dimer+dimer0_transparent_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/dimer_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/lipid_bilayer_mixture.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/lipid_bilayer_vacancies.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/moltemplate_manual.tex
A		tools/moltemplate/doc/moltemplate_manual_src/random_2bead.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/random_3bead.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/random_heteropolymer.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/refs.bib
A		tools/moltemplate/doc/moltemplate_manual_src/single_water_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/tether.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/waterSPCEx1000_LR.jpg
A		tools/moltemplate/doc/moltemplate_manual_src/waterSPCEx1000_t=25_LR.jpg
A	(dir)	tools/moltemplate/doc/utils/
A		tools/moltemplate/doc/utils/docs_dump2data.txt
A		tools/moltemplate/doc/utils/docs_extract_lammps_data.txt
A		tools/moltemplate/doc/utils/docs_genpoly_lt.txt
A		tools/moltemplate/doc/utils/docs_raw2data.txt
A	(dir)	tools/moltemplate/examples/
A		tools/moltemplate/examples/README.txt
A	(dir)	tools/moltemplate/examples/all_atom/
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/WARNING.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/README.txt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/moltemplate_files/benzene.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README.txt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/images/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/images/benzene.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/images/ethylene+benzene_box80x80x80_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/images/ethylene.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/benzene.lt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/charges_come_from_OPLSAA/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/charges_come_from_OPLSAA/oplsaa_subset.prm
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/ethylene.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/README_visualize.txt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/WARNING.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/images/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/images/hexadecane_12x12x2_t=0_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/images/hexadecane_12x12x2_t=10ps_npt_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/images/hexadecane_LR.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/moltemplate_files/ch2group.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/moltemplate_files/ch3group.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/moltemplate_files/hexadecane.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/isobutane.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/water+isobutane_t=0_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/water+isobutane_t=840ps_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/water.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/moltemplate_files/isobutane.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/WARNING.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/images/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/images/ch2_ry90.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/images/ch3_ry60.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/images/t=0.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/images/t=1ns.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/moltemplate_files/alkane50.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/moltemplate_files/ch2group.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/moltemplate_files/ch3group.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/run.in.min
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/alkane_chain_single/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/images/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/images/benzene.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/images/ethylene+benzene_box80x80x80_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/images/ethylene.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/moltemplate_files/benzene.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/moltemplate_files/ethylene.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/images/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/images/benzene.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/images/ethylene+benzene_box80x80x80_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/images/ethylene.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/moltemplate_files/benzene.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/moltemplate_files/ethylene.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/moltemplate_files/system.lt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/packmol_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/packmol_files/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/packmol_files/benzene.xyz
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/packmol_files/ethylene.xyz
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/packmol_files/mix_ethylene+benzene.inp
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/README_visualize.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/WARNING.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/images/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/images/hexadecane_12x12x2_t=0_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/images/hexadecane_12x12x2_t=10ps_npt_LR.jpg
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/images/hexadecane_LR.jpg
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/moltemplate_files/ch2group.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/moltemplate_files/ch3group.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/moltemplate_files/hexadecane.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/hexadecane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/moltemplate_files/methane.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/methane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/moltemplate_files/methane.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/moltemplate_files/spce.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPCE+methane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/README_visualize.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/TEST_density_estimate.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/moltemplate_files/spc.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSAA/waterSPC_using_OPLSAA/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/README.txt
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/README_remove_irrelevant_info.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/README_run.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/README_setup.sh
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/README_visualize.txt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/moltemplate_files/
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/moltemplate_files/propane.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/moltemplate_files/system.lt
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/run.in.npt
A		tools/moltemplate/examples/all_atom/force_field_OPLSUA_united_atom/propane/run.in.nvt
A	(dir)	tools/moltemplate/examples/all_atom/force_field_explicit_parameters/
A	(dir)	tools/moltemplate/examples/all_atom/force_field_explicit_parameters/aluminum_crystal_strain/
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A		tools/moltemplate/moltemplate/genpoly_lt.py
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A		tools/moltemplate/moltemplate/nbody_alt_symmetry/dihedrals_nosym.py
A		tools/moltemplate/moltemplate/nbody_alt_symmetry/gaff_imp.py
A		tools/moltemplate/moltemplate/nbody_alt_symmetry/impropers_nosym.py
A		tools/moltemplate/moltemplate/nbody_alt_symmetry/opls_imp.py
A		tools/moltemplate/moltemplate/nbody_by_type.py
A		tools/moltemplate/moltemplate/nbody_by_type_lib.py
A		tools/moltemplate/moltemplate/nbody_fix_ttree_assignments.py
A		tools/moltemplate/moltemplate/nbody_graph_search.py
A		tools/moltemplate/moltemplate/nbody_reorder_atoms.py
A		tools/moltemplate/moltemplate/ordereddict.py
A		tools/moltemplate/moltemplate/pdbsort.py
A		tools/moltemplate/moltemplate/postprocess_input_script.py
A		tools/moltemplate/moltemplate/raw2data.py
A		tools/moltemplate/moltemplate/remove_duplicate_atoms.py
A		tools/moltemplate/moltemplate/remove_duplicates_nbody.py
A		tools/moltemplate/moltemplate/renumber_DATA_first_column.py
A	(dir)	tools/moltemplate/moltemplate/scripts/
A		tools/moltemplate/moltemplate/scripts/cleanup_moltemplate.sh
A		tools/moltemplate/moltemplate/scripts/emoltemplate.sh
A		tools/moltemplate/moltemplate/scripts/moltemplate.sh
A		tools/moltemplate/moltemplate/ttree.py
A		tools/moltemplate/moltemplate/ttree_lex.py
A		tools/moltemplate/moltemplate/ttree_matrix_stack.py
A		tools/moltemplate/moltemplate/ttree_render.py
A		tools/moltemplate/setup.cfg
A		tools/moltemplate/setup.py

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tools/moltemplate/LICENSE.md

tools/moltemplate/README.md

tools/moltemplate/doc/moltemplate_manual.pdf

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tools/moltemplate/examples/all_atom/force_field_AMBER/benzene/moltemplate_files/benzene.lt

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tools/moltemplate/examples/all_atom/force_field_AMBER/ethylene+benzene/README.txt

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tools/moltemplate/examples/all_atom/force_field_AMBER/hexadecane/WARNING.txt

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tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README.txt

tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_remove_irrelevant_info.sh

tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_run.sh

tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_setup.sh

tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/README_visualize.txt

tools/moltemplate/examples/all_atom/force_field_AMBER/waterTIP3P+isobutane/images/isobutane.jpg

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