digraph workflow {
	graph [_draw_="c 9 -#fffffe00 C 7 -#eeeeee P 4 0 0 0 863 1332.5 863 1332.5 0 ",
		bb="0,0,1332.5,863",
		bgcolor="#eeeeee",
		clusterrank=local,
		color=black,
		dpi=96,
		fontsize=10,
		labeljust=left,
		nodesep=0.05,
		ranksep=0.22,
		xdotversion=1.7
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	node [color=black,
		fillcolor=lightgoldenrodyellow,
		fontcolor=black,
		fontname=Helvetica,
		fontsize=10,
		height=0,
		label="\N",
		shape=record,
		style=filled,
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	edge [arrowsize=0.7,
		color=black,
		fontcolor=black,
		fontname=Helvetica,
		fontsize=8
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	subgraph cluster_inputs {
		graph [_draw_="S 6 -dashed c 7 -#000000 C 7 -#eeeeee P 4 436 800 436 855 568 855 568 800 ",
			_ldraw_="F 10 11 -Times-Roman c 7 -#000000 T 486 843 0 84 15 -Workflow Inputs ",
			bb="436,800,568,855",
			label="Workflow Inputs",
			lheight=0.15,
			lp="486,845.5",
			lwidth=1.17,
			rank=same,
			style=dashed
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		scw_input_pdb_path	[_draw_="c 7 -#000000 C 7 -#94ddf4 P 4 444 808.5 444 827.5 560 827.5 560 808.5 ",
			_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 502 815.5 0 100 18 -scw_input_pdb_path ",
			fillcolor="#94DDF4",
			height=0.27778,
			label=scw_input_pdb_path,
			pos="502,818",
			rects="444,808.5,560,827.5",
			width=1.6111];
	}
	subgraph cluster_outputs {
		graph [_draw_="S 6 -dashed c 7 -#000000 C 7 -#eeeeee P 4 820 8 820 63 1314 63 1314 8 ",
			_ldraw_="F 10 11 -Times-Roman c 7 -#000000 T 874 15 0 92 16 -Workflow Outputs ",
			bb="820,8,1314,63",
			label="Workflow Outputs",
			labelloc=b,
			lheight=0.15,
			lp="874,17.5",
			lwidth=1.28,
			rank=same,
			style=dashed
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		rms_output_xvg_file	[_draw_="c 7 -#000000 C 7 -#94ddf4 P 4 828 35.5 828 54.5 944 54.5 944 35.5 ",
			_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 886 42.5 0 100 19 -rms_output_xvg_file ",
			fillcolor="#94DDF4",
			height=0.27778,
			label=rms_output_xvg_file,
			pos="886,45",
			rects="828,35.5,944,54.5",
			width=1.6111];
		md_output_gro_file	[_draw_="c 7 -#000000 C 7 -#94ddf4 P 4 1086 35.5 1086 54.5 1196 54.5 1196 35.5 ",
			_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1141 42.5 0 94 18 -md_output_gro_file ",
			fillcolor="#94DDF4",
			height=0.27778,
			label=md_output_gro_file,
			pos="1141,45",
			rects="1086,35.5,1196,54.5",
			width=1.5278];
		md_output_trr_file	[_draw_="c 7 -#000000 C 7 -#94ddf4 P 4 1200 35.5 1200 54.5 1306 54.5 1306 35.5 ",
			_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1253 42.5 0 90 18 -md_output_trr_file ",
			fillcolor="#94DDF4",
			height=0.27778,
			label=md_output_trr_file,
			pos="1253,45",
			rects="1200,35.5,1306,54.5",
			width=1.4722];
		gnuplot_output_png_file	[_draw_="c 7 -#000000 C 7 -#94ddf4 P 4 948 35.5 948 54.5 1082 54.5 1082 35.5 ",
			_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1015 42.5 0 118 23 -gnuplot_output_png_file ",
			fillcolor="#94DDF4",
			height=0.27778,
			label=gnuplot_output_png_file,
			pos="1015,45",
			rects="948,35.5,1082,54.5",
			width=1.8611];
	}
	mutate_structure	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 451.5 755.5 451.5 774.5 552.5 774.5 552.5 755.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 502 762.5 0 85 16 -mutate_structure ",
		height=0.27778,
		label=mutate_structure,
		pos="502,765",
		rects="451.5,755.5,552.5,774.5",
		width=1.4028];
	scw_input_pdb_path -> mutate_structure	[_draw_="c 7 -#000000 B 4 502 808.58 502 801.52 502 791.24 502 782.55 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 504.45 782.78 502 775.78 499.55 782.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 543.5 785.6 0 83 18 -scw_input_pdb_path ",
		label=scw_input_pdb_path,
		lp="543.5,787.5",
		pos="e,502,774.26 502,808.58 502,801.52 502,791.24 502,782.55"];
	rmsd	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 953.5 125.5 953.5 144.5 994.5 144.5 994.5 125.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 974 132.5 0 25 4 -rmsd ",
		height=0.27778,
		label=rmsd,
		pos="974,135",
		rects="953.5,125.5,994.5,144.5",
		width=0.56944];
	rmsd -> rms_output_xvg_file	[_draw_="c 7 -#000000 B 4 965.56 125.56 950.41 110.41 918.46 78.46 899.99 59.99 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 902.04 58.57 895.35 55.35 898.57 62.04 ",
		pos="e,894.28,54.284 965.56,125.56 950.41,110.41 918.46,78.458 899.99,59.987"];
	gnuplot	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 979.5 80.5 979.5 99.5 1032.5 99.5 1032.5 80.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1006 87.5 0 37 7 -gnuplot ",
		height=0.27778,
		label=gnuplot,
		pos="1006,90",
		rects="979.5,80.5,1032.5,99.5",
		width=0.73611];
	rmsd -> gnuplot	[_draw_="c 7 -#000000 B 4 980.17 125.71 984.33 120.12 989.94 112.58 994.87 105.96 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 996.73 107.56 998.95 100.48 992.8 104.63 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1040.5 110.6 0 97 22 -gnuplot_input_xvg_path ",
		label=gnuplot_input_xvg_path,
		lp="1040.5,112.5",
		pos="e,999.85,99.265 980.17,125.71 984.33,120.12 989.94,112.58 994.87,105.96"];
	gnuplot -> gnuplot_output_png_file	[_draw_="c 7 -#000000 B 4 1007.74 80.71 1008.83 75.47 1010.28 68.53 1011.6 62.24 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1013.92 63.1 1012.96 55.75 1009.13 62.1 ",
		pos="e,1013.3,54.265 1007.7,80.709 1008.8,75.474 1010.3,68.534 1011.6,62.235"];
	create_topology	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 454.5 710.5 454.5 729.5 549.5 729.5 549.5 710.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 502 717.5 0 79 15 -create_topology ",
		height=0.27778,
		label=create_topology,
		pos="502,720",
		rects="454.5,710.5,549.5,729.5",
		width=1.3194];
	mutate_structure -> create_topology	[_draw_="c 7 -#000000 B 4 502 755.71 502 750.59 502 743.85 502 737.67 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 504.45 737.78 502 730.78 499.55 737.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 564 740.6 0 124 28 -p2g_input_structure_pdb_path ",
		label=p2g_input_structure_pdb_path,
		lp="564,742.5",
		pos="e,502,729.27 502,755.71 502,750.59 502,743.85 502,737.67"];
	equilibration_preprocess	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 981.5 215.5 981.5 234.5 1118.5 234.5 1118.5 215.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1050 222.5 0 121 24 -equilibration_preprocess ",
		height=0.27778,
		label=equilibration_preprocess,
		pos="1050,225",
		rects="981.5,215.5,1118.5,234.5",
		width=1.9028];
	equilibration	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 1060 170.5 1060 189.5 1138 189.5 1138 170.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1099 177.5 0 62 13 -equilibration ",
		height=0.27778,
		label=equilibration,
		pos="1099,180",
		rects="1060,170.5,1138,189.5",
		width=1.0833];
	equilibration_preprocess -> equilibration	[_draw_="c 7 -#000000 B 7 1054.5 215.51 1057.72 210.02 1062.45 203 1068 198 1069.71 196.46 1071.58 195 1073.54 193.65 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1074.43 195.98 1079.08 190.2 1071.84 191.82 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1106 200.6 0 76 17 -md_input_tpr_path ",
		label=md_input_tpr_path,
		lp="1106,202.5",
		pos="e,1080.4,189.4 1054.5,215.51 1057.7,210.02 1062.5,203 1068,198 1069.7,196.46 1071.6,195 1073.5,193.65"];
	solvate	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 443.5 620.5 443.5 639.5 496.5 639.5 496.5 620.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 470 627.5 0 37 7 -solvate ",
		height=0.27778,
		label=solvate,
		pos="470,630",
		rects="443.5,620.5,496.5,639.5",
		width=0.73611];
	create_topology -> solvate	[_draw_="c 7 -#000000 B 7 488.74 710.67 480.5 704.66 470.63 695.74 466 685 460.89 673.15 462.41 658.48 464.92 647.42 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 467.22 648.31 466.65 640.91 462.49 647.05 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 512.5 673.1 0 93 22 -sol_input_top_zip_path ",
		label=sol_input_top_zip_path,
		lp="512.5,675",
		pos="e,467.04,639.45 488.74,710.67 480.5,704.66 470.63,695.74 466,685 460.89,673.15 462.41,658.48 464.92,647.42"];
	create_water_box	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 561 665.5 561 684.5 665 684.5 665 665.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 613 672.5 0 88 16 -create_water_box ",
		height=0.27778,
		label=create_water_box,
		pos="613,675",
		rects="561,665.5,665,684.5",
		width=1.4444];
	create_topology -> create_water_box	[_draw_="c 7 -#000000 B 4 523.93 710.5 540.88 703.94 564.53 694.78 583.19 687.55 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 584.06 689.84 589.7 685.02 582.29 685.27 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 605.5 695.6 0 75 17 -ec_input_gro_path ",
		label=ec_input_gro_path,
		lp="605.5,697.5",
		pos="e,591.12,684.48 523.93,710.5 540.88,703.94 564.53,694.78 583.19,687.55"];
	nvt_dynamics	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 542.5 350.5 542.5 369.5 627.5 369.5 627.5 350.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 585 357.5 0 69 12 -nvt_dynamics ",
		height=0.27778,
		label=nvt_dynamics,
		pos="585,360",
		rects="542.5,350.5,627.5,369.5",
		width=1.1806];
	npt_dynamics_preprocess	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 690.5 305.5 690.5 324.5 833.5 324.5 833.5 305.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 762 312.5 0 127 23 -npt_dynamics_preprocess ",
		height=0.27778,
		label=npt_dynamics_preprocess,
		pos="762,315",
		rects="690.5,305.5,833.5,324.5",
		width=1.9861];
	nvt_dynamics -> npt_dynamics_preprocess	[_draw_="c 7 -#000000 B 7 581.51 350.71 579.73 345.03 578.74 337.69 583 333 589.97 325.34 637.84 321.05 682.32 318.7 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 682.19 321.16 689.06 318.36 681.94 316.26 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 623 335.6 0 80 18 -gpp_input_cpt_path ",
		label=gpp_input_cpt_path,
		lp="623,337.5",
		pos="e,690.57,318.28 581.51,350.71 579.73,345.03 578.74,337.69 583,333 589.97,325.34 637.84,321.05 682.32,318.7"];
	nvt_dynamics -> npt_dynamics_preprocess	[_draw_="c 7 -#000000 B 10 627.29 352.67 638.25 350.16 649.82 346.71 660 342 666.05 339.2 665.9 335.69 672 333 677.5 330.58 683.34 328.5 \
689.3 326.71 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 689.92 329.08 696.02 324.86 688.62 324.36 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 712.5 335.6 0 81 18 -gpp_input_gro_path ",
		label=gpp_input_gro_path,
		lp="712.5,337.5",
		pos="e,697.48,324.46 627.29,352.67 638.25,350.16 649.82,346.71 660,342 666.05,339.2 665.9,335.69 672,333 677.5,330.58 683.34,328.5 689.3,\
326.71"];
	minimization_preprocess	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 199 485.5 199 504.5 339 504.5 339 485.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 269 492.5 0 124 23 -minimization_preprocess ",
		height=0.27778,
		label=minimization_preprocess,
		pos="269,495",
		rects="199,485.5,339,504.5",
		width=1.9444];
	minimization	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 333.5 440.5 333.5 459.5 414.5 459.5 414.5 440.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 374 447.5 0 65 12 -minimization ",
		height=0.27778,
		label=minimization,
		pos="374,450",
		rects="333.5,440.5,414.5,459.5",
		width=1.125];
	minimization_preprocess -> minimization	[_draw_="c 7 -#000000 B 7 275.75 485.73 280.95 479.89 288.66 472.37 297 468 305.81 463.38 315.82 460.02 325.64 457.56 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 326.06 459.98 332.34 456.04 324.97 455.2 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 335 470.6 0 76 17 -md_input_tpr_path ",
		label=md_input_tpr_path,
		lp="335,472.5",
		pos="e,333.82,455.71 275.75,485.73 280.95,479.89 288.66,472.37 297,468 305.81,463.38 315.82,460.02 325.64,457.56"];
	equilibration -> md_output_gro_file	[_draw_="c 7 -#000000 B 7 1126.7 170.56 1130.35 168.32 1133.63 165.52 1136 162 1156.24 131.88 1150.49 86.77 1145.29 62.64 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1147.71 62.22 1143.73 55.96 1142.94 63.34 ",
		pos="e,1143.4,54.49 1126.7,170.56 1130.3,168.32 1133.6,165.52 1136,162 1156.2,131.88 1150.5,86.767 1145.3,62.636"];
	equilibration -> md_output_trr_file	[_draw_="c 7 -#000000 B 7 1125.37 170.65 1131.09 168.29 1136.94 165.4 1142 162 1184.76 133.25 1223.65 85.53 1241.96 61.23 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1243.86 62.78 1246.06 55.7 1239.92 59.86 ",
		pos="e,1247,54.487 1125.4,170.65 1131.1,168.29 1136.9,165.4 1142,162 1184.8,133.25 1223.7,85.525 1242,61.228"];
	equilibration -> rmsd	[_draw_="c 7 -#000000 B 7 1060.25 179.1 1027.79 178.25 985.06 174.66 974 162 971.73 159.4 970.81 156.03 970.65 152.58 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 973.08 152.95 971.3 145.75 968.2 152.49 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1012 155.6 0 76 18 -rms_input_trr_path ",
		label=rms_input_trr_path,
		lp="1012,157.5",
		pos="e,971.44,144.25 1060.2,179.1 1027.8,178.25 985.06,174.66 974,162 971.73,159.4 970.81,156.03 970.65,152.58"];
	equilibration -> rmsd	[_draw_="c 7 -#000000 B 10 1076.53 170.57 1070.69 168.08 1064.49 165.16 1059 162 1053.22 158.67 1053.04 155.82 1047 153 1033.03 146.49 1016.37 \
142.37 1002.49 139.81 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1003.06 137.42 995.75 138.67 1002.24 142.25 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1099 155.6 0 80 18 -rms_input_gro_path ",
		label=rms_input_gro_path,
		lp="1099,157.5",
		pos="e,994.25,138.42 1076.5,170.57 1070.7,168.08 1064.5,165.16 1059,162 1053.2,158.67 1053,155.82 1047,153 1033,146.49 1016.4,142.37 \
1002.5,139.81"];
	npt_dynamics	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 829.5 260.5 829.5 279.5 914.5 279.5 914.5 260.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 872 267.5 0 69 12 -npt_dynamics ",
		height=0.27778,
		label=npt_dynamics,
		pos="872,270",
		rects="829.5,260.5,914.5,279.5",
		width=1.1806];
	npt_dynamics_preprocess -> npt_dynamics	[_draw_="c 7 -#000000 B 7 770.5 305.51 776.77 299.74 785.77 292.37 795 288 803.24 284.1 812.41 281.07 821.46 278.74 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 821.99 281.13 828.24 277.13 820.86 276.36 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 833 290.6 0 76 17 -md_input_tpr_path ",
		label=md_input_tpr_path,
		lp="833,292.5",
		pos="e,829.71,276.78 770.5,305.51 776.77,299.74 785.77,292.37 795,288 803.24,284.1 812.41,281.07 821.46,278.74"];
	npt_dynamics -> equilibration_preprocess	[_draw_="c 7 -#000000 B 7 870.86 260.53 870.59 254.76 871.36 247.39 876 243 883.35 236.04 930.29 231.72 973.56 229.18 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 973.51 231.63 980.36 228.79 973.23 226.74 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 916.5 245.6 0 81 18 -gpp_input_gro_path ",
		label=gpp_input_gro_path,
		lp="916.5,247.5",
		pos="e,981.87,228.71 870.86,260.53 870.59,254.76 871.36,247.39 876,243 883.35,236.04 930.29,231.72 973.56,229.18"];
	npt_dynamics -> equilibration_preprocess	[_draw_="c 7 -#000000 B 10 914.41 263.87 927.48 261.33 941.68 257.56 954 252 960.08 249.26 959.92 245.73 966 243 971.41 240.57 977.18 238.49 \
983.05 236.7 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 983.58 239.1 989.66 234.85 982.25 234.38 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1006 245.6 0 80 18 -gpp_input_cpt_path ",
		label=gpp_input_cpt_path,
		lp="1006,247.5",
		pos="e,991.11,234.44 914.41,263.87 927.48,261.33 941.68,257.56 954,252 960.08,249.26 959.92,245.73 966,243 971.41,240.57 977.18,238.49 \
983.05,236.7"];
	nvt_dynamics_preprocess	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 416.5 395.5 416.5 414.5 559.5 414.5 559.5 395.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 488 402.5 0 127 23 -nvt_dynamics_preprocess ",
		height=0.27778,
		label=nvt_dynamics_preprocess,
		pos="488,405",
		rects="416.5,395.5,559.5,414.5",
		width=1.9861];
	minimization -> nvt_dynamics_preprocess	[_draw_="c 7 -#000000 B 7 373.3 440.58 373.31 434.83 374.37 427.47 379 423 384.07 418.11 395.22 414.62 408.55 412.14 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 408.62 414.61 415.13 411.04 407.82 409.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 419.5 425.6 0 81 18 -gpp_input_gro_path ",
		label=gpp_input_gro_path,
		lp="419.5,427.5",
		pos="e,416.62,410.79 373.3,440.58 373.31,434.83 374.37,427.47 379,423 384.07,418.11 395.22,414.62 408.55,412.14"];
	add_ions	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 434 530.5 434 549.5 494 549.5 494 530.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 464 537.5 0 44 8 -add_ions ",
		height=0.27778,
		label=add_ions,
		pos="464,540",
		rects="434,530.5,494,549.5",
		width=0.83333];
	solvate -> add_ions	[_draw_="c 7 -#000000 B 7 443.92 628.67 419.08 626.79 382.92 619.64 365 595 346.4 569.42 390.7 554.62 425.92 547.18 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 426.31 549.6 432.69 545.83 425.35 544.8 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 412 583.1 0 94 22 -gio_input_top_zip_path ",
		label=gio_input_top_zip_path,
		lp="412,585",
		pos="e,434.18,545.53 443.92,628.67 419.08,626.79 382.92,619.64 365,595 346.4,569.42 390.7,554.62 425.92,547.18"];
	solvate -> add_ions	[_draw_="c 7 -#000000 B 7 468.83 620.63 467.91 613.76 466.68 603.77 466 595 465.04 582.56 464.54 568.46 464.28 557.8 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 466.73 557.89 464.13 550.94 461.83 557.99 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 505 583.1 0 78 18 -gio_input_gro_path ",
		label=gio_input_gro_path,
		lp="505,585",
		pos="e,464.1,549.43 468.83,620.63 467.91,613.76 466.68,603.77 466,595 465.04,582.56 464.54,568.46 464.28,557.8"];
	ions_preprocess	[_draw_="c 7 -#000000 C 7 -#fafad2 P 4 546.5 575.5 546.5 594.5 641.5 594.5 641.5 575.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 594 582.5 0 79 15 -ions_preprocess ",
		height=0.27778,
		label=ions_preprocess,
		pos="594,585",
		rects="546.5,575.5,641.5,594.5",
		width=1.3194];
	solvate -> ions_preprocess	[_draw_="c 7 -#000000 B 7 470.97 620.65 472.11 614.78 474.6 607.24 480 603 489.47 595.56 518.81 596.57 538.45 595.14 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 538.47 597.6 545.18 594.44 537.96 592.73 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 528.5 605.6 0 97 22 -gpp_input_top_zip_path ",
		label=gpp_input_top_zip_path,
		lp="528.5,607.5",
		pos="e,546.68,594.28 470.97,620.65 472.11,614.78 474.6,607.24 480,603 489.47,595.56 518.81,596.57 538.45,595.14"];
	solvate -> ions_preprocess	[_draw_="c 7 -#000000 B 7 496.17 629.92 518.36 629.54 550.28 626.17 574 612 575.34 611.2 579.2 606.31 583.18 600.99 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 585.04 602.59 587.21 595.5 581.09 599.7 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 622.5 605.6 0 81 18 -gpp_input_gro_path ",
		label=gpp_input_gro_path,
		lp="622.5,607.5",
		pos="e,588.1,594.28 496.17,629.92 518.36,629.54 550.28,626.17 574,612 575.34,611.2 579.2,606.31 583.18,600.99"];
	add_ions -> equilibration_preprocess	[_draw_="c 7 -#000000 B 10 493.87 538.39 613.28 535.75 1050 524.18 1050 496 1050 496 1050 496 1050 269 1050 260.31 1050 250.63 1050 242.65 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1052.45 242.76 1050 235.76 1047.55 242.76 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1098.5 380.6 0 97 22 -gpp_input_top_zip_path ",
		label=gpp_input_top_zip_path,
		lp="1098.5,382.5",
		pos="e,1050,234.24 493.87,538.39 613.28,535.75 1050,524.18 1050,496 1050,496 1050,496 1050,269 1050,260.31 1050,250.63 1050,242.65"];
	add_ions -> minimization_preprocess	[_draw_="c 7 -#000000 B 7 434.36 538.34 383.63 536.92 284.5 532.79 273 522 270.45 519.61 269.07 516.32 268.38 512.89 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 270.83 512.82 267.94 505.99 265.94 513.13 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 313.5 515.6 0 81 18 -gpp_input_gro_path ",
		label=gpp_input_gro_path,
		lp="313.5,517.5",
		pos="e,267.85,504.48 434.36,538.34 383.63,536.92 284.5,532.79 273,522 270.45,519.61 269.07,516.32 268.38,512.89"];
	add_ions -> minimization_preprocess	[_draw_="c 7 -#000000 B 10 434.23 537.7 413.54 535.92 385.72 531.74 363 522 356.87 519.37 357.08 515.74 351 513 345.62 510.57 339.89 508.49 \
334.06 506.7 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 334.91 504.4 327.51 504.85 333.58 509.11 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 411.5 515.6 0 97 22 -gpp_input_top_zip_path ",
		label=gpp_input_top_zip_path,
		lp="411.5,517.5",
		pos="e,326.05,504.44 434.23,537.7 413.54,535.92 385.72,531.74 363,522 356.87,519.37 357.08,515.74 351,513 345.62,510.57 339.89,508.49 \
334.06,506.7"];
	add_ions -> npt_dynamics_preprocess	[_draw_="c 7 -#000000 B 10 493.98 537.71 568.66 534.1 757 522.38 757 496 757 496 757 496 757 359 757 350.25 758.03 340.56 759.16 332.6 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 761.58 333 760.24 325.71 756.74 332.24 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 805.5 425.6 0 97 22 -gpp_input_top_zip_path ",
		label=gpp_input_top_zip_path,
		lp="805.5,427.5",
		pos="e,760.47,324.21 493.98,537.71 568.66,534.1 757,522.38 757,496 757,496 757,496 757,359 757,350.25 758.03,340.56 759.16,332.6"];
	add_ions -> nvt_dynamics_preprocess	[_draw_="c 7 -#000000 B 7 463.5 530.6 462.72 513.3 462.09 472.57 471 440 472.75 433.61 475.74 427 478.73 421.33 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 480.65 422.91 481.95 415.61 476.38 420.51 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 514.5 470.6 0 97 22 -gpp_input_top_zip_path ",
		label=gpp_input_top_zip_path,
		lp="514.5,472.5",
		pos="e,482.69,414.29 463.5,530.6 462.72,513.3 462.09,472.57 471,440 472.75,433.61 475.74,427 478.73,421.33"];
	nvt_dynamics_preprocess -> nvt_dynamics	[_draw_="c 7 -#000000 B 7 493.24 395.73 497.37 389.89 503.64 382.37 511 378 518.14 373.76 526.25 370.57 534.41 368.18 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 534.95 370.58 541.1 366.43 533.71 365.84 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 549 380.6 0 76 17 -md_input_tpr_path ",
		label=md_input_tpr_path,
		lp="549,382.5",
		pos="e,542.56,366.05 493.24,395.73 497.37,389.89 503.64,382.37 511,378 518.14,373.76 526.25,370.57 534.41,368.18"];
	create_water_box -> solvate	[_draw_="c 7 -#000000 B 4 584.75 665.5 561.64 658.56 528.88 648.7 504.27 641.31 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 505.12 639 497.71 639.33 503.71 643.7 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 608 650.6 0 106 25 -sol_input_solute_gro_path ",
		label=sol_input_solute_gro_path,
		lp="608,652.5",
		pos="e,496.26,638.9 584.75,665.5 561.64,658.56 528.88,648.7 504.27,641.31"];
	ions_preprocess -> add_ions	[_draw_="c 7 -#000000 B 4 568.32 575.5 548.02 568.79 519.53 559.37 497.45 552.06 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 498.48 549.83 491.07 549.95 496.94 554.48 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 579 560.6 0 76 18 -gio_input_tpr_path ",
		label=gio_input_tpr_path,
		lp="579,562.5",
		pos="e,489.63,549.48 568.32,575.5 548.02,568.79 519.53,559.37 497.45,552.06"];
	default1	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 1057 260.5 1057 279.5 1113 279.5 1113 260.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1085 267.5 0 40 7 -\"gppeq\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"gppeq\"",
		pos="1085,270",
		rects="1057,260.5,1113,279.5",
		width=0.77778];
	default1 -> equilibration_preprocess	[_draw_="c 7 -#000000 B 4 1078.25 260.71 1073.6 255 1067.3 247.26 1061.83 240.54 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1064 239.32 1057.68 235.44 1060.2 242.41 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1079.5 245.6 0 19 4 -step ",
		label=step,
		lp="1079.5,247.5",
		pos="e,1056.7,234.27 1078.3,260.71 1073.6,255 1067.3,247.26 1061.8,240.54"];
	default2	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 1117.5 260.5 1117.5 279.5 1332.5 279.5 1332.5 260.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1225 267.5 0 199 37 -../workflows/mdp/gmx_full_md_test.mdp ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="../workflows/mdp/gmx_full_md_test.mdp",
		pos="1225,270",
		rects="1117.5,260.5,1332.5,279.5",
		width=2.9861];
	default2 -> equilibration_preprocess	[_draw_="c 7 -#000000 B 4 1190.43 260.5 1162.38 253.61 1122.72 243.87 1092.7 236.49 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1093.35 234.13 1085.97 234.84 1092.19 238.89 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1195.5 245.6 0 85 18 -gpp_input_mdp_path ",
		label=gpp_input_mdp_path,
		lp="1195.5,247.5",
		pos="e,1084.5,234.48 1190.4,260.5 1162.4,253.61 1122.7,243.87 1092.7,236.49"];
	default3	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 563.5 395.5 563.5 414.5 620.5 414.5 620.5 395.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 592 402.5 0 41 7 -\"mdnvt\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"mdnvt\"",
		pos="592,405",
		rects="563.5,395.5,620.5,414.5",
		width=0.79167];
	default3 -> nvt_dynamics	[_draw_="c 7 -#000000 B 4 590.65 395.71 589.82 390.59 588.72 383.85 587.71 377.67 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 590.13 377.27 586.59 370.76 585.3 378.06 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 599.5 380.6 0 19 4 -step ",
		label=step,
		lp="599.5,382.5",
		pos="e,586.35,369.27 590.65,395.71 589.82,390.59 588.72,383.85 587.71,377.67"];
	default4	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 0 530.5 0 549.5 62 549.5 62 530.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 31 537.5 0 46 8 -\"gppmin\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"gppmin\"",
		pos="31,540",
		rects="0,530.5,62,549.5",
		width=0.86111];
	default4 -> minimization_preprocess	[_draw_="c 7 -#000000 B 7 61.89 530.94 63.28 530.62 64.65 530.3 66 530 110.11 520.13 160.2 511.71 199.58 505.72 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 199.76 508.17 206.32 504.7 199.03 503.32 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 159.5 515.6 0 19 4 -step ",
		label=step,
		lp="159.5,517.5",
		pos="e,207.82,504.48 61.893,530.94 63.279,530.62 64.653,530.3 66,530 110.11,520.13 160.2,511.71 199.58,505.72"];
	default5	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 66 530.5 66 549.5 284 549.5 284 530.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 175 537.5 0 202 38 -../workflows/mdp/gmx_full_min_test.mdp ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="../workflows/mdp/gmx_full_min_test.mdp",
		pos="175,540",
		rects="66,530.5,284,549.5",
		width=3.0278];
	default5 -> minimization_preprocess	[_draw_="c 7 -#000000 B 7 173.98 530.65 173.78 524.94 174.56 517.6 179 513 181.43 510.48 185.69 508.33 191.06 506.49 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 191.54 508.9 197.58 504.59 190.17 504.2 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 221.5 515.6 0 85 18 -gpp_input_mdp_path ",
		label=gpp_input_mdp_path,
		lp="221.5,517.5",
		pos="e,199.03,504.17 173.98,530.65 173.78,524.94 174.56,517.6 179,513 181.43,510.48 185.69,508.33 191.06,506.49"];
	default6	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 1122.5 215.5 1122.5 234.5 1175.5 234.5 1175.5 215.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1149 222.5 0 37 6 -\"mdeq\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"mdeq\"",
		pos="1149,225",
		rects="1122.5,215.5,1175.5,234.5",
		width=0.73611];
	default6 -> equilibration	[_draw_="c 7 -#000000 B 7 1148.31 215.82 1147.44 210.19 1145.47 202.87 1141 198 1139.56 196.43 1137.95 195 1136.23 193.7 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 1137.65 191.7 1130.41 190.1 1135.07 195.86 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 1155.5 200.6 0 19 4 -step ",
		label=step,
		lp="1155.5,202.5",
		pos="e,1129.1,189.3 1148.3,215.82 1147.4,210.19 1145.5,202.87 1141,198 1139.6,196.43 1137.9,195 1136.2,193.7"];
	default7	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 764.5 350.5 764.5 369.5 979.5 369.5 979.5 350.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 872 357.5 0 199 38 -../workflows/mdp/gmx_full_npt_test.mdp ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="../workflows/mdp/gmx_full_npt_test.mdp",
		pos="872,360",
		rects="764.5,350.5,979.5,369.5",
		width=2.9861];
	default7 -> npt_dynamics_preprocess	[_draw_="c 7 -#000000 B 4 850.27 350.5 833.47 343.94 810.04 334.78 791.54 327.55 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 792.51 325.3 785.1 325.03 790.72 329.86 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 869.5 335.6 0 85 18 -gpp_input_mdp_path ",
		label=gpp_input_mdp_path,
		lp="869.5,337.5",
		pos="e,783.69,324.48 850.27,350.5 833.47,343.94 810.04,334.78 791.54,327.55"];
	default8	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 983.5 350.5 983.5 369.5 1042.5 369.5 1042.5 350.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 1013 357.5 0 43 8 -\"gppnpt\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"gppnpt\"",
		pos="1013,360",
		rects="983.5,350.5,1042.5,369.5",
		width=0.81944];
	default8 -> npt_dynamics_preprocess	[_draw_="c 7 -#000000 B 10 983.5 350.93 982.32 350.61 981.15 350.3 980 350 950.29 342.18 943.23 338.49 913 333 883.67 327.68 874.36 328.44 \
841.79 325.05 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 842.21 322.63 834.99 324.32 841.68 327.51 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 960.5 335.6 0 19 4 -step ",
		label=step,
		lp="960.5,337.5",
		pos="e,833.48,324.15 983.5,350.93 982.32,350.61 981.15,350.3 980,350 950.29,342.18 943.23,338.49 913,333 883.67,327.68 874.36,328.44 \
841.79,325.05"];
	default9	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 843.5 305.5 843.5 324.5 900.5 324.5 900.5 305.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 872 312.5 0 41 7 -\"mdnpt\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"mdnpt\"",
		pos="872,315",
		rects="843.5,305.5,900.5,324.5",
		width=0.79167];
	default9 -> npt_dynamics	[_draw_="c 7 -#000000 B 4 872 305.71 872 300.59 872 293.85 872 287.67 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 874.45 287.78 872 280.78 869.55 287.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 881.5 290.6 0 19 4 -step ",
		label=step,
		lp="881.5,292.5",
		pos="e,872,279.27 872,305.71 872,300.59 872,293.85 872,287.67"];
	default10	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 344 485.5 344 504.5 404 504.5 404 485.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 374 492.5 0 44 7 -\"mdmin\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"mdmin\"",
		pos="374,495",
		rects="344,485.5,404,504.5",
		width=0.83333];
	default10 -> minimization	[_draw_="c 7 -#000000 B 4 374 485.71 374 480.59 374 473.85 374 467.67 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 376.45 467.78 374 460.78 371.55 467.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 383.5 470.6 0 19 4 -step ",
		label=step,
		lp="383.5,472.5",
		pos="e,374,459.27 374,485.71 374,480.59 374,473.85 374,467.67"];
	default11	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 471.5 440.5 471.5 459.5 530.5 459.5 530.5 440.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 501 447.5 0 43 8 -\"gppnvt\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"gppnvt\"",
		pos="501,450",
		rects="471.5,440.5,530.5,459.5",
		width=0.81944];
	default11 -> nvt_dynamics_preprocess	[_draw_="c 7 -#000000 B 4 498.49 440.71 496.91 435.47 494.81 428.53 492.91 422.24 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 495.31 421.71 490.94 415.71 490.62 423.12 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 505.5 425.6 0 19 4 -step ",
		label=step,
		lp="505.5,427.5",
		pos="e,490.5,414.27 498.49,440.71 496.91,435.47 494.81,428.53 492.91,422.24"];
	default12	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 534.5 440.5 534.5 459.5 749.5 459.5 749.5 440.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 642 447.5 0 199 38 -../workflows/mdp/gmx_full_nvt_test.mdp ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="../workflows/mdp/gmx_full_nvt_test.mdp",
		pos="642,450",
		rects="534.5,440.5,749.5,459.5",
		width=2.9861];
	default12 -> nvt_dynamics_preprocess	[_draw_="c 7 -#000000 B 4 611.57 440.5 587.11 433.67 552.59 424.03 526.25 416.68 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 527.22 414.41 519.82 414.88 525.9 419.13 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 621.5 425.6 0 85 18 -gpp_input_mdp_path ",
		label=gpp_input_mdp_path,
		lp="621.5,427.5",
		pos="e,518.36,414.48 611.57,440.5 587.11,433.67 552.59,424.03 526.25,416.68"];
	default13	[_draw_="c 7 -#000000 C 7 -#d5aefc P 4 640 620.5 640 639.5 704 639.5 704 620.5 ",
		_ldraw_="F 10 9 -Helvetica c 7 -#000000 T 672 627.5 0 48 9 -\"gppions\" ",
		fillcolor="#D5AEFC",
		height=0.27778,
		label="\"gppions\"",
		pos="672,630",
		rects="640,620.5,704,639.5",
		width=0.88889];
	default13 -> ions_preprocess	[_draw_="c 7 -#000000 B 7 671.53 620.61 670.76 614.88 668.81 607.53 664 603 659.68 598.93 654.56 595.79 649.08 593.37 ",
		_hdraw_="S 5 -solid c 7 -#000000 C 7 -#000000 P 3 650.26 591.19 642.85 591.02 648.54 595.78 ",
		_ldraw_="F 8 9 -Helvetica c 7 -#000000 T 679.5 605.6 0 19 4 -step ",
		label=step,
		lp="679.5,607.5",
		pos="e,641.43,590.49 671.53,620.61 670.76,614.88 668.81,607.53 664,603 659.68,598.93 654.56,595.79 649.08,593.37"];
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