AUTHORS
INSTALL
LICENSE
MANIFEST.in
README
setup.cfg
setup.py
MDAnalysisTests/__init__.py
MDAnalysisTests/datafiles.py
MDAnalysisTests/dummy.py
MDAnalysisTests/test_api.py
MDAnalysisTests/util.py
MDAnalysisTests.egg-info/PKG-INFO
MDAnalysisTests.egg-info/SOURCES.txt
MDAnalysisTests.egg-info/dependency_links.txt
MDAnalysisTests.egg-info/not-zip-safe
MDAnalysisTests.egg-info/requires.txt
MDAnalysisTests.egg-info/top_level.txt
MDAnalysisTests/analysis/__init__.py
MDAnalysisTests/analysis/test_align.py
MDAnalysisTests/analysis/test_base.py
MDAnalysisTests/analysis/test_bat.py
MDAnalysisTests/analysis/test_contacts.py
MDAnalysisTests/analysis/test_data.py
MDAnalysisTests/analysis/test_density.py
MDAnalysisTests/analysis/test_dielectric.py
MDAnalysisTests/analysis/test_diffusionmap.py
MDAnalysisTests/analysis/test_dihedrals.py
MDAnalysisTests/analysis/test_distances.py
MDAnalysisTests/analysis/test_encore.py
MDAnalysisTests/analysis/test_gnm.py
MDAnalysisTests/analysis/test_helix_analysis.py
MDAnalysisTests/analysis/test_hole2.py
MDAnalysisTests/analysis/test_hydrogenbondautocorrel.py
MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py
MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py
MDAnalysisTests/analysis/test_leaflet.py
MDAnalysisTests/analysis/test_lineardensity.py
MDAnalysisTests/analysis/test_msd.py
MDAnalysisTests/analysis/test_nucleicacids.py
MDAnalysisTests/analysis/test_nuclinfo.py
MDAnalysisTests/analysis/test_pca.py
MDAnalysisTests/analysis/test_persistencelength.py
MDAnalysisTests/analysis/test_psa.py
MDAnalysisTests/analysis/test_rdf.py
MDAnalysisTests/analysis/test_rdf_s.py
MDAnalysisTests/analysis/test_rms.py
MDAnalysisTests/analysis/test_waterdynamics.py
MDAnalysisTests/analysis/test_wbridge.py
MDAnalysisTests/auxiliary/__init__.py
MDAnalysisTests/auxiliary/base.py
MDAnalysisTests/auxiliary/test_core.py
MDAnalysisTests/auxiliary/test_xvg.py
MDAnalysisTests/coordinates/__init__.py
MDAnalysisTests/coordinates/base.py
MDAnalysisTests/coordinates/reference.py
MDAnalysisTests/coordinates/test_amber_inpcrd.py
MDAnalysisTests/coordinates/test_chainreader.py
MDAnalysisTests/coordinates/test_chemfiles.py
MDAnalysisTests/coordinates/test_copying.py
MDAnalysisTests/coordinates/test_crd.py
MDAnalysisTests/coordinates/test_dcd.py
MDAnalysisTests/coordinates/test_dlpoly.py
MDAnalysisTests/coordinates/test_dms.py
MDAnalysisTests/coordinates/test_fhiaims.py
MDAnalysisTests/coordinates/test_gms.py
MDAnalysisTests/coordinates/test_gro.py
MDAnalysisTests/coordinates/test_gsd.py
MDAnalysisTests/coordinates/test_h5md.py
MDAnalysisTests/coordinates/test_lammps.py
MDAnalysisTests/coordinates/test_memory.py
MDAnalysisTests/coordinates/test_mmtf.py
MDAnalysisTests/coordinates/test_mol2.py
MDAnalysisTests/coordinates/test_namdbin.py
MDAnalysisTests/coordinates/test_netcdf.py
MDAnalysisTests/coordinates/test_null.py
MDAnalysisTests/coordinates/test_pdb.py
MDAnalysisTests/coordinates/test_pdbqt.py
MDAnalysisTests/coordinates/test_pqr.py
MDAnalysisTests/coordinates/test_reader_api.py
MDAnalysisTests/coordinates/test_timestep_api.py
MDAnalysisTests/coordinates/test_trj.py
MDAnalysisTests/coordinates/test_trz.py
MDAnalysisTests/coordinates/test_txyz.py
MDAnalysisTests/coordinates/test_windows.py
MDAnalysisTests/coordinates/test_writer_api.py
MDAnalysisTests/coordinates/test_writer_registration.py
MDAnalysisTests/coordinates/test_xdr.py
MDAnalysisTests/coordinates/test_xyz.py
MDAnalysisTests/core/__init__.py
MDAnalysisTests/core/test_accessors.py
MDAnalysisTests/core/test_accumulate.py
MDAnalysisTests/core/test_atom.py
MDAnalysisTests/core/test_atomgroup.py
MDAnalysisTests/core/test_atomselections.py
MDAnalysisTests/core/test_copying.py
MDAnalysisTests/core/test_fragments.py
MDAnalysisTests/core/test_group_traj_access.py
MDAnalysisTests/core/test_groups.py
MDAnalysisTests/core/test_index_dtype.py
MDAnalysisTests/core/test_requires.py
MDAnalysisTests/core/test_residue.py
MDAnalysisTests/core/test_residuegroup.py
MDAnalysisTests/core/test_segment.py
MDAnalysisTests/core/test_segmentgroup.py
MDAnalysisTests/core/test_topology.py
MDAnalysisTests/core/test_topologyattrs.py
MDAnalysisTests/core/test_topologyobjects.py
MDAnalysisTests/core/test_universe.py
MDAnalysisTests/core/test_unwrap.py
MDAnalysisTests/core/test_updating_atomgroup.py
MDAnalysisTests/core/test_wrap.py
MDAnalysisTests/core/util.py
MDAnalysisTests/data/173D.mmtf
MDAnalysisTests/data/19hc.pdb.gz
MDAnalysisTests/data/1A2C.pqr
MDAnalysisTests/data/1a28.pdb.gz
MDAnalysisTests/data/1grm_elNemo_mode7.pdb.bz2
MDAnalysisTests/data/1grm_single.pdb
MDAnalysisTests/data/1hvr.pdb
MDAnalysisTests/data/1osm.pdb.gz
MDAnalysisTests/data/1ubq-less-optional.mmtf
MDAnalysisTests/data/2r9r-1b.psf
MDAnalysisTests/data/2r9r-1b.xyz
MDAnalysisTests/data/2r9r-1b.xyz.bz2
MDAnalysisTests/data/3NJW-onlyrequired.mmtf
MDAnalysisTests/data/4E43.pdb
MDAnalysisTests/data/5KIH.mmtf.gz
MDAnalysisTests/data/5a7u.pdb
MDAnalysisTests/data/5digitResid.pdb
MDAnalysisTests/data/6QYR.mmtf.gz
MDAnalysisTests/data/6msm.pdb.bz2
MDAnalysisTests/data/A6PA6_alpha.pdb
MDAnalysisTests/data/C12x64.xml.bz2
MDAnalysisTests/data/CONECT2TER.pdb
MDAnalysisTests/data/RANDOM_WALK_TOPO.pdb
MDAnalysisTests/data/SINGLECONECT.pdb
MDAnalysisTests/data/SiN_tric_namd.dcd
MDAnalysisTests/data/SiN_tric_namd.psf
MDAnalysisTests/data/adk.psf
MDAnalysisTests/data/adk_closed.dms
MDAnalysisTests/data/adk_closed.pdb
MDAnalysisTests/data/adk_closed_NAMD.psf
MDAnalysisTests/data/adk_closed_domains.dms
MDAnalysisTests/data/adk_closed_no_segid.dms
MDAnalysisTests/data/adk_dims.dcd
MDAnalysisTests/data/adk_dims2.dcd
MDAnalysisTests/data/adk_gbis_tmd-fast1_NAMD.dcd
MDAnalysisTests/data/adk_notop.psf
MDAnalysisTests/data/adk_notop_BAD.psf
MDAnalysisTests/data/adk_open.coor
MDAnalysisTests/data/adk_open.crd
MDAnalysisTests/data/adk_open.pdb
MDAnalysisTests/data/adk_open.pqr
MDAnalysisTests/data/adk_oplsaa.gro
MDAnalysisTests/data/adk_oplsaa.pdb
MDAnalysisTests/data/adk_oplsaa.tpr
MDAnalysisTests/data/adk_oplsaa.trr
MDAnalysisTests/data/adk_oplsaa.xtc
MDAnalysisTests/data/adk_oplsaa_CA_rmsf.npy
MDAnalysisTests/data/adk_oplsaa_GLY_rama.npy
MDAnalysisTests/data/adk_oplsaa_LYS_janin.npy
MDAnalysisTests/data/adk_oplsaa_dihedral.npy
MDAnalysisTests/data/adk_oplsaa_dihedral_list.npy
MDAnalysisTests/data/adk_oplsaa_janin.npy
MDAnalysisTests/data/adk_oplsaa_rama.npy
MDAnalysisTests/data/align.pdb
MDAnalysisTests/data/atomtypes.itp
MDAnalysisTests/data/atomtypes_charge.itp
MDAnalysisTests/data/bad_num_col.xvg
MDAnalysisTests/data/bad_top.top
MDAnalysisTests/data/bigbox.gro.bz2
MDAnalysisTests/data/chainIDnewres.pdb.gz
MDAnalysisTests/data/chainIDrepeat.pdb.gz
MDAnalysisTests/data/cobrotoxin.h5md
MDAnalysisTests/data/cobrotoxin.pdb
MDAnalysisTests/data/cobrotoxin.tpr
MDAnalysisTests/data/cobrotoxin.trr
MDAnalysisTests/data/cobrotoxin.xtc
MDAnalysisTests/data/cobrotoxin_dry_neutral_0.pdb
MDAnalysisTests/data/cobrotoxin_protein_forces.xvg.bz2
MDAnalysisTests/data/conect_parsing.pdb
MDAnalysisTests/data/cryst_then_model.pdb
MDAnalysisTests/data/cryst_then_model.pdb.bz2
MDAnalysisTests/data/cryst_then_model.pdb.gz
MDAnalysisTests/data/dppc_vesicle_hg.gro
MDAnalysisTests/data/edited_itp.itp
MDAnalysisTests/data/elements.pdb
MDAnalysisTests/data/empty.dcd
MDAnalysisTests/data/empty_atom.gro
MDAnalysisTests/data/example.gsd
MDAnalysisTests/data/example_bonds.gsd
MDAnalysisTests/data/example_longer.gsd
MDAnalysisTests/data/fhiaims.in
MDAnalysisTests/data/five.xyz
MDAnalysisTests/data/fullerene.pdb.gz
MDAnalysisTests/data/gromacs_ala10.itp
MDAnalysisTests/data/gromacs_ala10.top
MDAnalysisTests/data/grovels.gro
MDAnalysisTests/data/helanal_bending_matrix_AdK_DIMS_H8.dat
MDAnalysisTests/data/helanal_bending_matrix_AdK_DIMS_H8_frames10to79.dat
MDAnalysisTests/data/huge_box.gro
MDAnalysisTests/data/incomplete.pdb
MDAnalysisTests/data/itp_nomass.itp
MDAnalysisTests/data/legacy_DCD_NAMD_coords.npy
MDAnalysisTests/data/legacy_DCD_adk_coords.npy
MDAnalysisTests/data/legacy_DCD_c36_coords.npy
MDAnalysisTests/data/make_whole.gro
MDAnalysisTests/data/martini_dppc_chol_bilayer.gro
MDAnalysisTests/data/mini.xyz
MDAnalysisTests/data/missing_atomname.gro
MDAnalysisTests/data/model_then_cryst.pdb
MDAnalysisTests/data/model_then_cryst.pdb.bz2
MDAnalysisTests/data/model_then_cryst.pdb.gz
MDAnalysisTests/data/mol2_comments_header_bat.npy
MDAnalysisTests/data/molecule.sdf
MDAnalysisTests/data/namd_cgenff.pdb
MDAnalysisTests/data/namd_cgenff.psf
MDAnalysisTests/data/nmr_neopetrosiamide.pdb
MDAnalysisTests/data/no_endif_spc.itp
MDAnalysisTests/data/nosegid.psf
MDAnalysisTests/data/nucl_res.pdb
MDAnalysisTests/data/parmed_ala3.psf
MDAnalysisTests/data/pdbqt_inputpdbqt.pdbqt
MDAnalysisTests/data/pdbqt_querypdb.pdb
MDAnalysisTests/data/plength.gro
MDAnalysisTests/data/residwrap.gro
MDAnalysisTests/data/residwrap_0base.gro
MDAnalysisTests/data/sameresid_diffresname.gro
MDAnalysisTests/data/sameresid_diffresname.pdb
MDAnalysisTests/data/sample_velocity_file.gro
MDAnalysisTests/data/spce.itp
MDAnalysisTests/data/surface.pdb.bz2
MDAnalysisTests/data/surface.trr
MDAnalysisTests/data/test.fasta
MDAnalysisTests/data/test.xvg
MDAnalysisTests/data/testENT.ent
MDAnalysisTests/data/test_highf.xvg
MDAnalysisTests/data/test_lowf.xvg
MDAnalysisTests/data/tip125_tric_C36.dcd
MDAnalysisTests/data/tip125_tric_C36.psf
MDAnalysisTests/data/tip5p.itp
MDAnalysisTests/data/trr_test_only_10_frame_10_atoms.trr
MDAnalysisTests/data/trz_psf.psf
MDAnalysisTests/data/trzfile.trz
MDAnalysisTests/data/two_water_gro.gro
MDAnalysisTests/data/two_water_gro_multiframe.gro
MDAnalysisTests/data/two_water_gro_nonames.gro
MDAnalysisTests/data/two_water_gro_widebox.gro
MDAnalysisTests/data/unordered_res.pdb
MDAnalysisTests/data/watdyn.dcd
MDAnalysisTests/data/watdyn.psf
MDAnalysisTests/data/xl_serial.pdb
MDAnalysisTests/data/xtc_test_only_10_frame_10_atoms.xtc
MDAnalysisTests/data/xyz_random_walk.xtc
MDAnalysisTests/data/Amber/ace_mbondi3.error1.parm7
MDAnalysisTests/data/Amber/ace_mbondi3.error2.parm7
MDAnalysisTests/data/Amber/ace_mbondi3.error3.parm7
MDAnalysisTests/data/Amber/ace_mbondi3.nc
MDAnalysisTests/data/Amber/ace_mbondi3.negative.parm7
MDAnalysisTests/data/Amber/ace_mbondi3.parm7
MDAnalysisTests/data/Amber/ace_tip3p.nc
MDAnalysisTests/data/Amber/ace_tip3p.parm7
MDAnalysisTests/data/Amber/ache.mdcrd
MDAnalysisTests/data/Amber/ache.mdcrd.bz2
MDAnalysisTests/data/Amber/ache.prmtop
MDAnalysisTests/data/Amber/ala.ff19SB.OPC.parm7.bz2
MDAnalysisTests/data/Amber/anti.top
MDAnalysisTests/data/Amber/anti_md1.mdcrd.bz2
MDAnalysisTests/data/Amber/bala.ncdf
MDAnalysisTests/data/Amber/bala.prmtop
MDAnalysisTests/data/Amber/bala.trj
MDAnalysisTests/data/Amber/capped-ala.mdcrd.bz2
MDAnalysisTests/data/Amber/capped-ala.prmtop
MDAnalysisTests/data/Amber/chitosan.prmtop
MDAnalysisTests/data/Amber/parmed_ala2_solv.parm7
MDAnalysisTests/data/Amber/parmed_ala2_solv.rst7
MDAnalysisTests/data/Amber/parmed_fad.prmtop
MDAnalysisTests/data/Amber/posfor.ncdf
MDAnalysisTests/data/Amber/posfor.top
MDAnalysisTests/data/Amber/test.inpcrd
MDAnalysisTests/data/Amber/tz2.truncoct.nc
MDAnalysisTests/data/Amber/tz2.truncoct.parm7.bz2
MDAnalysisTests/data/analysis/1k5i_c36.pdb.gz
MDAnalysisTests/data/analysis/1k5i_c36.psf.gz
MDAnalysisTests/data/analysis/YiiP_lipids.gro.gz
MDAnalysisTests/data/analysis/YiiP_lipids.xtc
MDAnalysisTests/data/analysis/align_bound.pdb.gz
MDAnalysisTests/data/analysis/align_unbound.pdb.gz
MDAnalysisTests/data/capping/aaqaa.gro
MDAnalysisTests/data/capping/ace.pdb
MDAnalysisTests/data/capping/maestro_aaqaa_capped.pdb
MDAnalysisTests/data/capping/nma.pdb
MDAnalysisTests/data/contacts/2F4K_qlist5_remap.dat
MDAnalysisTests/data/contacts/villin_folded.gro.bz2
MDAnalysisTests/data/contacts/villin_unfolded.gro.bz2
MDAnalysisTests/data/coordinates/README.md
MDAnalysisTests/data/coordinates/create_data.py
MDAnalysisTests/data/coordinates/create_h5md_data.py
MDAnalysisTests/data/coordinates/new_hexane.arc
MDAnalysisTests/data/coordinates/test.arc
MDAnalysisTests/data/coordinates/test.dcd
MDAnalysisTests/data/coordinates/test.gro
MDAnalysisTests/data/coordinates/test.gro.bz2
MDAnalysisTests/data/coordinates/test.h5md
MDAnalysisTests/data/coordinates/test.trr
MDAnalysisTests/data/coordinates/test.txyz
MDAnalysisTests/data/coordinates/test.xtc
MDAnalysisTests/data/coordinates/test.xyz
MDAnalysisTests/data/coordinates/test.xyz.bz2
MDAnalysisTests/data/coordinates/test_incomplete_vel.gro
MDAnalysisTests/data/coordinates/test_topology.pdb
MDAnalysisTests/data/dlpoly/CONFIG
MDAnalysisTests/data/dlpoly/CONFIG_minimal
MDAnalysisTests/data/dlpoly/CONFIG_order
MDAnalysisTests/data/dlpoly/HISTORY
MDAnalysisTests/data/dlpoly/HISTORY_classic
MDAnalysisTests/data/dlpoly/HISTORY_minimal
MDAnalysisTests/data/dlpoly/HISTORY_minimal_cell
MDAnalysisTests/data/dlpoly/HISTORY_order
MDAnalysisTests/data/gms/c1opt.gms.gz
MDAnalysisTests/data/gms/c1opt.inp
MDAnalysisTests/data/gms/surf2wat.gms
MDAnalysisTests/data/gms/surf2wat.inp
MDAnalysisTests/data/gms/symopt.gms
MDAnalysisTests/data/gms/symopt.inp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/ff_dum.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/ffbonded.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/ffnonbonded.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/forcefield.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/ions.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/spc.itp
MDAnalysisTests/data/gromacs/gromos54a7_edited.ff/test.itp
MDAnalysisTests/data/lammps/albite_triclinic.data
MDAnalysisTests/data/lammps/albite_triclinic.dump
MDAnalysisTests/data/lammps/cnt-hexagonal-class1.data
MDAnalysisTests/data/lammps/cnt-hexagonal-class1.data2
MDAnalysisTests/data/lammps/datatest.data
MDAnalysisTests/data/lammps/datatest.trz
MDAnalysisTests/data/lammps/deletedatoms.data
MDAnalysisTests/data/lammps/hydrogen-class1.data
MDAnalysisTests/data/lammps/hydrogen-class1.data2
MDAnalysisTests/data/lammps/ifabp_apo_100mM.data.bz2
MDAnalysisTests/data/lammps/ifabp_apo_100mM.dcd
MDAnalysisTests/data/lammps/ifabp_apo_100mM.in
MDAnalysisTests/data/lammps/mini.data
MDAnalysisTests/data/lammps/spce_all_coords.lammpstrj.bz2
MDAnalysisTests/data/lammps/spce_no_coords.lammpstrj.bz2
MDAnalysisTests/data/lammps/wat.lammpstrj.bz2
MDAnalysisTests/data/lammps/wat.lammpstrj_long.bz2
MDAnalysisTests/data/merge/2zmm/ligand.pdb
MDAnalysisTests/data/merge/2zmm/protein.pdb
MDAnalysisTests/data/merge/2zmm/water.pdb
MDAnalysisTests/data/mol2/BrokenMolecule.mol2
MDAnalysisTests/data/mol2/Ligand.mol2
MDAnalysisTests/data/mol2/Molecule.mol2
MDAnalysisTests/data/mol2/Molecule_comments_header.mol2
MDAnalysisTests/data/mol2/Molecules.mol2
MDAnalysisTests/data/mol2/sodium_ion.mol2
MDAnalysisTests/data/mol2/zinc_856218.mol2
MDAnalysisTests/data/tprs/2lyz_gmx_2016.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2018.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2019-beta3.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2020-beta2.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2020.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2020_double.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2021.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2021_double.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_2022-rc1.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.2.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.3.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.4.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.5.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.6.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.7.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.0.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.1.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.2.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.3.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.4.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.5.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_4.5.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_5.0.2.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_5.0.4.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_5.0.5.tpr
MDAnalysisTests/data/tprs/2lyz_gmx_5.1.tpr
MDAnalysisTests/data/tprs/ab42_gmx_4.6.1.tpr
MDAnalysisTests/data/tprs/ab42_gmx_4.6.tpr
MDAnalysisTests/data/tprs/drew_gmx_4.5.5.double.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy.gro
MDAnalysisTests/data/tprs/all_bonded/dummy.mdp
MDAnalysisTests/data/tprs/all_bonded/dummy.top
MDAnalysisTests/data/tprs/all_bonded/dummy_2016.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2018.mdp
MDAnalysisTests/data/tprs/all_bonded/dummy_2018.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2019-beta3.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2020-beta2.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2020.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2020_double.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2021.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2021_double.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_2022-rc1.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_3.3.4.top
MDAnalysisTests/data/tprs/all_bonded/dummy_3.3.4.tpr
MDAnalysisTests/data/tprs/all_bonded/dummy_5.1.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-2016.3.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-2018.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-2020.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-2021.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-2022-rc1.tpr
MDAnalysisTests/data/tprs/virtual_sites/extra-interactions-4.0.7.tpr
MDAnalysisTests/data/windows/README.md
MDAnalysisTests/data/windows/WIN_HISTORY
MDAnalysisTests/data/windows/WIN_ache.mdcrd
MDAnalysisTests/data/windows/WIN_nmr_neopetrosiamide.pdb
MDAnalysisTests/data/windows/WIN_test.arc
MDAnalysisTests/data/windows/WIN_wat.lammpstrj
MDAnalysisTests/formats/__init__.py
MDAnalysisTests/formats/test_libdcd.py
MDAnalysisTests/formats/test_libmdaxdr.py
MDAnalysisTests/import/__init__.py
MDAnalysisTests/import/fork_called.py
MDAnalysisTests/import/test_import.py
MDAnalysisTests/lib/__init__.py
MDAnalysisTests/lib/test_augment.py
MDAnalysisTests/lib/test_cutil.py
MDAnalysisTests/lib/test_distances.py
MDAnalysisTests/lib/test_log.py
MDAnalysisTests/lib/test_neighborsearch.py
MDAnalysisTests/lib/test_nsgrid.py
MDAnalysisTests/lib/test_pkdtree.py
MDAnalysisTests/lib/test_util.py
MDAnalysisTests/topology/__init__.py
MDAnalysisTests/topology/base.py
MDAnalysisTests/topology/test_altloc.py
MDAnalysisTests/topology/test_crd.py
MDAnalysisTests/topology/test_dlpoly.py
MDAnalysisTests/topology/test_dms.py
MDAnalysisTests/topology/test_fhiaims.py
MDAnalysisTests/topology/test_gms.py
MDAnalysisTests/topology/test_gro.py
MDAnalysisTests/topology/test_gsd.py
MDAnalysisTests/topology/test_guessers.py
MDAnalysisTests/topology/test_hoomdxml.py
MDAnalysisTests/topology/test_itp.py
MDAnalysisTests/topology/test_lammpsdata.py
MDAnalysisTests/topology/test_minimal.py
MDAnalysisTests/topology/test_mmtf.py
MDAnalysisTests/topology/test_mol2.py
MDAnalysisTests/topology/test_pdb.py
MDAnalysisTests/topology/test_pdbqt.py
MDAnalysisTests/topology/test_pqr.py
MDAnalysisTests/topology/test_psf.py
MDAnalysisTests/topology/test_top.py
MDAnalysisTests/topology/test_topology_base.py
MDAnalysisTests/topology/test_topology_str_types.py
MDAnalysisTests/topology/test_tprparser.py
MDAnalysisTests/topology/test_txyz.py
MDAnalysisTests/topology/test_xpdb.py
MDAnalysisTests/topology/test_xyz.py
MDAnalysisTests/transformations/__init__.py
MDAnalysisTests/transformations/test_base.py
MDAnalysisTests/transformations/test_boxdimensions.py
MDAnalysisTests/transformations/test_fit.py
MDAnalysisTests/transformations/test_positionaveraging.py
MDAnalysisTests/transformations/test_rotate.py
MDAnalysisTests/transformations/test_translate.py
MDAnalysisTests/transformations/test_wrap.py
MDAnalysisTests/utils/__init__.py
MDAnalysisTests/utils/test_authors.py
MDAnalysisTests/utils/test_datafiles.py
MDAnalysisTests/utils/test_duecredit.py
MDAnalysisTests/utils/test_failure.py
MDAnalysisTests/utils/test_imports.py
MDAnalysisTests/utils/test_log.py
MDAnalysisTests/utils/test_meta.py
MDAnalysisTests/utils/test_modelling.py
MDAnalysisTests/utils/test_persistence.py
MDAnalysisTests/utils/test_pickleio.py
MDAnalysisTests/utils/test_qcprot.py
MDAnalysisTests/utils/test_selections.py
MDAnalysisTests/utils/test_streamio.py
MDAnalysisTests/utils/test_transformations.py
MDAnalysisTests/utils/test_units.py
MDAnalysisTests/visualization/__init__.py
MDAnalysisTests/visualization/test_streamlines.py
scripts/modeller_make_A6PA6_alpha.py