Pre-Equilibrated Systems

Pre-Equilibrated Systems in Various Phases (1-70 of 70)

Id > System  Description  Equilibration (ns)  Program 
2 512 methanol Rectangular box; 512 ... 0.5 gromos96
3 512 ethanol Rectangular box; 512 ... 0.5 gromos96
4 512 ethane amine Rectangular box; 512 ... 0.5 gromos96
5 512 ethane-1,2-diami ... Rectangular box; 512 ... 0.5 gromos96
6 512 diethylamine Rectangular box; 512 ... 0.5 gromos96
7 343 diethylether Rectangular box; 343 ... 0.5 gromos96
8 512 butylamine Rectangular box; 512 ... 0.5 gromos96
9 512 2-propanol Rectangular box; 512 ... 0.5 gromos96
10 512 aceton Rectangular box; 512 ... 0.5 gromos96
11 512 acetic acid Rectangular box; 512 ... 0.5 gromos96
12 512 methyl ethyl est ... Rectangular box; 512 ... 0.5 gromos96
14 512 N-methylacetamid ... Rectangular box; 512 ... 0.5 gromos96
15 512 ethyl acetate Rectangular box; 512 ... 0.5 gromos96
16 512 3-pentanon Rectangular box; 512 ... 0.5 gromos96
17 343 toluene Rectangular box; 343 ... 0.5 gromos96
18 512 propyl acetate Rectangular box; 512 ... 0.5 gromos96
19 512 ethylpropanoate Rectangular box; 512 ... 0.5 gromos96
20 512 ethylbutanoate Rectangular box; 512 ... 0.5 gromos96
21 512 butyl acetate Rectangular box; 512 ... 0.5 gromos96
22 512 ethyl glycol dip ... Rectangular box; 512 ... 0.5 gromos96
23 512 glycerol triprop ... Rectangular box; 512 ... 0.5 gromos96
24 512 Cyclohexane Rectangular box; 512 ... 0.5 GROMOS96
27 DLPC bilayer Hydrated 128-DLPC bi ... 350.0 GROMACS 3.2.1
28 DLPC bilayer Hydrated 128-DLPC bi ... 350.0 GROMACS 3.2.1
29 DMPC bilayer Hydrated 128-DMPC bi ... 235.0 GROMACS 3.2.1
30 DOPC bilayer Hydrated 128-DOPC bi ... 300.0 GROMACS 3.2.1
31 POPC bilayer Hydrated 128-POPC bi ... 250.0 GROMACS 3.2.1
32 DPPC bilayer Hydrated 128-DPPC bi ... 190.0 GROMACS 3.2.1
44 512 octanol Rectangular box; 512 ... 2.0 gromos96
45 512 heptanol Rectangular box; 512 ... 2.0 gromos96
46 512 2-butanol Rectangular box; 512 ... 2.0 gromos96
47 512 2-pentanol Rectangular box; 512 ... 2.0 gromos96
48 512 3-pentanol Rectangular box; 512 ... 2.0 gromos96
56 512 methanol Rectangular box; 512 ... 2.0 gromos96
57 512 ethanol Rectangular box; 512 ... 2.0 gromos96
58 512 (1-propanol) Rectangular box; 512 ... 2.0 gromos96
59 512 (2-propanol) Rectangular box; 512 ... 2.0 gromos96
60 512 butanol Rectangular box; 512 ... 2.0 gromos96
61 512 pentanol Rectangular box; 512 ... 2.0 gromos96
62 512 hexanol Rectangular box; 512 ... 2.0 gromos96
63 512 cyclohexanol Rectangular box; 512 ... 2.0 gromos96
64 512 2-methyl-2-prop ... Rectangular box; 512 ... 2.0 gromos96
65 512 2-methyl-2-butan ... Rectangular box; 512 ... 2.0 gromos96
66 512 Dimethylether Rectangular box; 512 ... 2.0 gromos96
67 1024 DMSO Rectangular box; 102 ... 1.0 gromos96
69 1000 Methanol Rectangular box; 100 ... 2.0 gromos96
70 1000 Chloroform Rectangular box; 100 ... 3.0 gromos96
71 1000 Carbon tetrachl ... Rectangular box; 100 ... 5.5 gromos96
73 DPC micelle DPC micelle composed ... 0.0 GROMACS 3.3.3 mdrun
74 50 Perc Vol TFE TFE and water volume ... 2.0 GROMACS 3.3.3 mdrun
75 DPPC bilayer Hydrated 128-DPPC bi ... 100.0 GROMACS 3.3.3
76 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
77 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
78 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
79 DPPC bilayer 128-DPPC bilayer in ... 300.0 GROMACS 3.3.3
80 DOPC Hydrated 128-DOPC bi ... 100.0 GROMACS 3.3.3
81 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
82 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
83 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
84 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
85 DOPC bilayer 128-DOPC bilayer in ... 300.0 GROMACS 3.3.3
86 Membrane-embedded P- ... central P-gp structu ... 300.0 gromacs 3.3.3 mdrun
88 P-gp with NCP, ATP i ... P-gp with NCP, ATP i ... 5.0 gromacs 3.3.3 mdrun
89 512 acetone Rectangular box; 512 ... 0.5 gromos96
90 Vancomycin and lipid ... Vancomycin spontenou ... 50.0 GROMACS 4.0.2
91 ATP-bound P-gp inwar ... P-gp with Mg2+ and A ... 10.0 GROMACS 3.3.3
92 Membrane-embedded P- ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
93 ATP-bound P-gp asymm ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
94 ATP-bound P-gp asymm ... P-gp with Mg2+ and A ... 0.0 GROMACS 3.3.3
95 Lipid II in POPC mem ... System contain 3 lip ... 10.0 GROMACS 4.0.7
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