Disable GPU PME-PP communication with mdrun -pmefft cpu
[gromacs.git] / share / top / ca-shift.dat
blobbbc6a5236335574a1979a713b0fc39f4a652ed00
1 18 18
2 -2.35 -2.39 -2.36 -2.23 -1.98 -1.64 -1.26 -0.93 -0.68 -0.51 -0.38 -0.09 0.13 -0.15 -1.09 -1.88 -2.13 -2.26
3 -2.33 -2.36 -2.32 -2.18 -1.91 -1.54 -1.12 -0.75 -0.45 -0.27 -0.25 -0.54 -1.12 -1.57 -1.89 -2.04 -2.15 -2.25
4 -2.28 -2.30 -2.25 -2.11 -1.83 -1.44 -1.00 -0.58 -0.25 -0.05 -0.05 -0.64 -1.50 -1.86 -1.99 -2.00 -2.09 -2.20
5 -2.19 -2.22 -2.18 -2.03 -1.76 -1.37 -0.92 -0.48 -0.12 0.12 0.08 -0.48 -0.98 -1.31 -1.54 -1.65 -1.89 -2.09
6 -2.07 -2.13 -2.10 -1.96 -1.70 -1.33 -0.90 -0.47 -0.08 0.19 0.15 -0.02 -0.10 -0.23 -0.41 -0.74 -1.40 -1.86
7 -1.90 -2.01 -1.99 -1.85 -1.60 -1.26 -0.88 -0.49 -0.10 0.19 0.29 0.39 0.49 0.56 0.63 0.44 -0.62 -1.52
8 -1.65 -1.77 -1.68 -1.45 -1.14 -0.81 -0.50 -0.19 0.10 0.31 0.47 0.63 0.78 0.91 1.06 1.10 0.12 -1.14
9 -1.34 -1.32 -1.03 -0.60 -0.16 0.24 0.59 0.88 1.04 0.81 0.64 0.78 0.94 1.09 1.26 1.37 0.59 -0.83
10 -1.02 -0.85 -0.41 0.13 0.66 1.11 1.46 1.72 1.87 1.63 0.94 0.88 1.05 1.23 1.42 1.54 0.81 -0.63
11 -0.65 -0.47 0.07 0.70 1.26 1.69 1.99 2.19 2.31 2.27 1.56 1.03 1.13 1.34 1.56 1.71 0.98 -0.28
12 -0.22 -0.10 0.51 1.20 1.73 2.08 2.32 2.47 2.56 2.59 2.28 1.40 1.26 1.44 1.68 1.89 1.33 0.28
13 0.12 0.20 0.87 1.56 2.04 2.33 2.51 2.63 2.71 2.75 2.69 2.14 1.58 1.51 1.71 2.06 1.73 0.76
14 0.16 0.26 1.03 1.75 2.20 2.46 2.62 2.72 2.79 2.83 2.88 2.69 1.93 1.44 1.56 2.10 1.93 0.90
15 -0.19 -0.03 0.86 1.70 2.20 2.48 2.64 2.75 2.81 2.85 2.90 2.69 1.90 1.25 1.28 1.95 1.82 0.62
16 -0.99 -0.85 0.00 1.05 1.80 2.24 2.50 2.64 2.72 2.72 2.64 2.30 1.69 1.14 1.09 1.57 1.08 -0.31
17 -1.91 -1.92 -1.62 -0.93 -0.02 0.82 1.43 1.83 2.05 2.09 1.98 1.75 1.40 1.13 1.07 0.74 -0.71 -1.62
18 -2.24 -2.30 -2.25 -2.07 -1.73 -1.28 -0.82 -0.40 -0.02 0.48 1.06 1.18 1.09 1.06 0.91 -0.44 -1.75 -2.10
19 -2.33 -2.38 -2.36 -2.23 -2.00 -1.67 -1.33 -1.04 -0.79 -0.52 0.05 0.59 0.77 0.80 0.20 -1.40 -2.04 -2.22