-
Notifications
You must be signed in to change notification settings - Fork 10
/
Copy path.param_gbsa_methanol
102 lines (102 loc) · 4.06 KB
/
.param_gbsa_methanol
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
33.60000000
32.04000000
0.79200000
1.65093397
0.82529809
1.49235984
0.41277592
0.00000000
-0.70072201 0.53917392 3.98164403
0.18917579 1.87016856 0.00000000
-9.63826287 0.92501515 0.00000000
-6.27815618 0.90305133 0.00000000
-1.56978470 0.91378331 0.00000000
-2.51460740 0.76268026 0.00000000
0.70006551 0.88977017 0.00000000
2.80270399 0.30000000 0.00000000
0.71105995 0.46913375 1.39486803
-0.06209569 1.38940400 0.00000000
-6.71161198 0.99931942 0.00000000
-13.30401816 1.07080716 0.00000000
-3.27379587 1.11235721 0.00000000
0.11023515 0.89647803 0.00000000
-1.89776664 0.86906072 4.98738901
-1.51548628 0.69343090 4.10562549
-0.98998841 0.26304312 2.58275339
-0.64385021 1.13899999 0.00000000
-7.19758742 0.92549220 0.00000000
-9.67170479 1.54103616 0.00000000
-6.30574753 1.06351336 0.00000000
0.34855994 0.99647439 0.00000000
-7.56147920 1.13445692 0.00000000
-9.98333530 1.10880230 0.00000000
-7.81454205 0.94140155 0.00000000
-2.49535886 1.02960605 0.00000000
-7.17627284 1.05579302 0.00000000
-2.86973017 1.09293887 0.00000000
-2.37394520 1.05013346 0.00000000
-9.57292772 1.06763892 0.00000000
-2.10180050 0.72638607 0.00000000
-1.76316542 0.82320493 0.00000000
-1.69461901 0.72119562 0.00000000
-1.36915557 0.63076234 2.75274938
-1.83669687 0.69419905 3.19971186
-0.83513095 1.15929304 0.00000000
-6.57132326 0.66120196 0.00000000
-13.43489078 1.09416608 0.00000000
-10.13436669 1.45453039 0.00000000
4.50069565 1.21149890 0.00000000
-2.00155928 1.06335698 0.00000000
-14.49327969 0.87736455 0.00000000
0.00000000 0.80000000 0.00000000
-2.73726395 1.03354124 0.00000000
-0.53694699 1.06900558 0.00000000
-1.76798964 1.17016129 0.00000000
-2.01481011 1.24055560 0.00000000
-1.81041019 1.30400156 0.00000000
-2.34805793 0.81936783 0.00000000
-1.58460812 0.66910788 0.00000000
-0.75097925 0.54907185 0.00000000
-1.67655208 0.84555550 0.00000000
-2.37510843 0.56693010 2.84756868
-0.83097821 0.99595914 0.00000000
-4.77565793 0.75192219 0.00000000
-10.40861115 0.78499882 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
-0.82788650 1.05863377 0.00000000
-1.96778757 0.98766734 0.00000000
1.14216510 1.09154534 0.00000000
-9.20894395 1.03527263 0.00000000
-1.83824213 1.01459368 0.00000000
-1.24229916 0.99428287 0.00000000
-1.90899349 0.97911590 0.00000000
-1.76688618 1.40519837 0.00000000
-1.66376528 1.28241072 0.00000000
-2.33435571 1.26394541 0.00000000
-0.42570890 1.29894716 0.00000000
-0.35291693 1.14879392 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000
0.00000000 0.80000000 0.00000000