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commit	510bacc327d3c56348ddc346e525b2894aeea0ce
author	David van der Spoel <spoel@xray.bmc.uu.se>
	Sun, 30 Dec 2018 13:16:35 +0000 (30 14:16 +0100)
committer	David van der Spoel <spoel@xray.bmc.uu.se>
	Sun, 30 Dec 2018 14:22:49 +0000 (30 15:22 +0100)
tree	4c4e9fca19c83a24d638b65c81dd8d0ac7eae4e8	tree \| snapshot (tar.gz zip)
parent	6de5aaac5870a729319a6c748c4ed4b9d72ddbc0	commit \| diff

Moved input files for tests to simulation database.

Removed three duplicate files.

Change-Id: I750ce3875d11b5ecd098c58288df9d33c926432f

56 files changed:

src/programs/mdrun/tests/spc-and-methanol.gro	[deleted file]	blob \| blame \| history
src/programs/mdrun/tests/spc-and-methanol.ndx	[deleted file]	blob \| blame \| history
src/programs/mdrun/tests/spc-and-methanol.top	[deleted file]	blob \| blame \| history
src/testutils/simulationdatabase/1quantum.ndx	[moved from src/programs/mdrun/tests/1quantum.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/2quantum.ndx	[moved from src/programs/mdrun/tests/2quantum.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/4water.gro	[moved from src/programs/mdrun/tests/4water.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/4water.top	[moved from src/programs/mdrun/tests/4water.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/OctaneSandwich.gro	[moved from src/programs/mdrun/tests/OctaneSandwich.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/OctaneSandwich.ndx	[moved from src/programs/mdrun/tests/OctaneSandwich.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/OctaneSandwich.top	[moved from src/programs/mdrun/tests/OctaneSandwich.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/ala.gro	[moved from src/programs/mdrun/tests/ala.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/ala.ndx	[moved from src/programs/mdrun/tests/ala.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/ala.top	[moved from src/programs/mdrun/tests/ala.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite.itp	[moved from src/programs/mdrun/tests/alanine_vsite.itp with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_solvated.gro	[moved from src/programs/mdrun/tests/alanine_vsite_solvated.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_solvated.ndx	[moved from src/programs/mdrun/tests/alanine_vsite_solvated.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_solvated.top	[moved from src/programs/mdrun/tests/alanine_vsite_solvated.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_vacuo.gro	[moved from src/programs/mdrun/tests/alanine_vsite_vacuo.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_vacuo.ndx	[moved from src/programs/mdrun/tests/alanine_vsite_vacuo.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/alanine_vsite_vacuo.top	[moved from src/programs/mdrun/tests/alanine_vsite_vacuo.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/allquantum.ndx	[moved from src/programs/mdrun/tests/allquantum.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon12.gro	[moved from src/programs/mdrun/tests/argon12.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon12.ndx	[moved from src/programs/mdrun/tests/argon12.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon12.top	[moved from src/programs/mdrun/tests/argon12.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon5832.gro	[moved from src/programs/mdrun/tests/argon5832.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon5832.ndx	[moved from src/programs/mdrun/tests/argon5832.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/argon5832.top	[moved from src/programs/mdrun/tests/argon5832.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/butane1.gro	[moved from src/programs/mdrun/tests/butane1.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/butane1.ndx	[moved from src/programs/mdrun/tests/butane1.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/butane_a0.xvg	[moved from src/programs/mdrun/tests/butane_a0.xvg with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/butane_b0.xvg	[moved from src/programs/mdrun/tests/butane_b0.xvg with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/butane_d0.xvg	[moved from src/programs/mdrun/tests/butane_d0.xvg with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_no_constraints_vacuo.gro	[moved from src/programs/mdrun/tests/glycine_no_constraints_vacuo.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_no_constraints_vacuo.ndx	[moved from src/programs/mdrun/tests/glycine_no_constraints_vacuo.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_no_constraints_vacuo.top	[moved from src/programs/mdrun/tests/glycine_no_constraints_vacuo.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_vacuo.gro	[moved from src/programs/mdrun/tests/glycine_vacuo.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_vacuo.itp	[moved from src/programs/mdrun/tests/glycine_vacuo.itp with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_vacuo.ndx	[moved from src/programs/mdrun/tests/glycine_vacuo.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/glycine_vacuo.top	[moved from src/programs/mdrun/tests/glycine_vacuo.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/nonanol_vacuo.gro	[moved from src/programs/mdrun/tests/nonanol_vacuo.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/nonanol_vacuo.ndx	[moved from src/programs/mdrun/tests/nonanol_vacuo.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/nonanol_vacuo.top	[moved from src/programs/mdrun/tests/nonanol_vacuo.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc-and-methanol.gro		diff \| blob \| blame \| history
src/testutils/simulationdatabase/spc2.gro	[moved from src/programs/mdrun/tests/spc2.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc2.ndx	[moved from src/programs/mdrun/tests/spc2.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc2.top	[moved from src/programs/mdrun/tests/spc2.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc2.trr	[moved from src/programs/mdrun/tests/spc2.trr with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc216.gro	[moved from src/programs/mdrun/tests/spc216.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc216.ndx	[moved from src/programs/mdrun/tests/spc216.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc216.top	[moved from src/programs/mdrun/tests/spc216.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc216_with_methane.gro	[moved from src/programs/mdrun/tests/spc216_with_methane.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc216_with_methane.top	[moved from src/programs/mdrun/tests/spc216_with_methane.top with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc2_and_vacuum.gro	[moved from src/programs/mdrun/tests/spc2_and_vacuum.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc5.gro	[moved from src/programs/mdrun/tests/spc5.gro with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc5.ndx	[moved from src/programs/mdrun/tests/spc5.ndx with 100% similarity]	blob \| blame \| history
src/testutils/simulationdatabase/spc5.top	[moved from src/programs/mdrun/tests/spc5.top with 100% similarity]	blob \| blame \| history

The ultimate molecular dynamics simulation package

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