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Fix thread-MPI rank choice for orientation restraints
[gromacs.git]
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electroneg.dat
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1ff94eb721782ee94e8a22d16dcf60bc03926cfb
1
??? H
2.1
2
??? Li
1.0
3
??? Be
1.5
4
??? B
2.0
5
??? C
2.5
6
??? N
3.0
7
??? O
3.5
8
??? F
4.0
9
??? Na
0.9
10
??? Mg
1.2
11
??? Al
1.5
12
??? Si
1.8
13
??? P
2.1
14
??? S
2.5
15
??? Cl
3.0
16
??? K
0.8
17
??? Ca
1.0
18
??? Sc
1.3
19
??? Ti
1.5
20
??? V
1.6
21
??? Cr
1.6
22
??? Mn
1.5
23
??? Fe
1.8
24
??? Co
1.9
25
??? Ni
1.9
26
??? Cu
1.9
27
??? Zn
1.6
28
??? Ga
1.6
29
??? Ge
1.8
30
??? As
2.0
31
??? Se
2.4
32
??? Br
2.8
33
??? Rb
0.8
34
??? Sr
1.0
35
??? Y
1.2
36
??? Zr
1.4
37
??? Nb
1.6
38
??? Mo
1.8
39
??? Tc
1.9
40
??? Ru
2.2
41
??? Rh
2.2
42
??? Pd
2.2
43
??? Ag
1.9
44
??? Cd
1.7
45
??? In
1.7
46
??? Sn
1.8
47
??? Sb
1.9
48
??? Te
2.1
49
??? I
2.5
50
??? Cs
0.7
51
??? Ba
0.9
52
??? Hf
1.3
53
??? Ta
1.5
54
??? W
1.7
55
??? Re
1.9
56
??? Os
2.2
57
??? Ir
2.2
58
??? Pt
2.2
59
??? Au
2.4
60
??? Hg
1.9
61
??? Tl
1.8
62
??? Pb
1.9
63
??? Bi
1.9
64
??? Po
2.0
65
??? At
2.2
66
??? Fr
0.7
67
??? Ra
0.9
68
??? Ac
1.1
69
??? Th
1.3
70
??? Pa
1.4
71
??? U
1.4