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/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/formats/
H A Dtest_libdcd.py45 with DCDFile(dcdfile) as f:
55 with DCDFile(dcdfile) as dcd:
70 with DCDFile(dcdfile) as dcd:
142 def test_natoms(dcdfile, natoms): argument
143 with DCDFile(dcdfile) as dcd:
157 with DCDFile(dcdfile) as dcd:
188 with DCDFile(dcdfile) as f:
202 with DCDFile(dcdfile) as dcd:
216 with DCDFile(dcdfile) as dcd:
463 with DCDFile(dcdfile) as dcd:
[all …]
/dports/biology/protomol/protomol/examples/butane_4/
H A DUA_butane.conf30 dcdfile UA_butane.out.dcd
H A DUA_butane.lf.conf31 dcdfile butane.out.dcd
H A DUA_butane.hmc.conf27 dcdfile UA_butane.out.hmc.dcd
H A DUA_butane.dhmc.conf25 dcdfile UA_butane.out.dhmc.dcd
/dports/biology/protomol/protomol/examples/testset/
H A Dshmc.Bsp_PME.pb.conf34 dcdfile bpti.shmc.dcd
/dports/biology/protomol/protomol/doc/UserGuide/
H A Duserguide.tex1054 dcdfile &
1624 dcdfile alanin.out.dcd
1796 dcdfile bpti.out.dcd