-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_168.gro
23 lines (23 loc) · 1.42 KB
/
frame_168.gro
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
frame_168 t= 167000.00000 step= 83500000
20
1132SOL O 1 2.363 3.705 11.086 0.6214 0.0815 0.0102
1132SOL H 2 2.332 3.621 11.120 0.3499 0.7457 1.4842
1132SOL H 3 2.450 3.686 11.050 1.1558 -0.6093 1.5491
1132SOL M 4 2.371 3.691 11.086 0.6567 0.0778 0.4158
1180SOL O 5 2.870 3.244 11.335 0.3741 -0.3280 0.1944
1180SOL H 6 2.882 3.277 11.246 -2.1865 -1.4499 -0.6704
1180SOL H 7 2.883 3.150 11.329 -0.1708 -0.4695 0.9017
1180SOL M 8 2.873 3.236 11.323 -0.0439 -0.4981 0.1731
1849SOL O 9 2.586 3.210 11.324 -0.0802 -0.0657 0.0071
1849SOL H 10 2.562 3.203 11.231 2.3420 -0.2953 -0.6467
1849SOL H 11 2.675 3.245 11.323 0.9308 -2.3454 2.1613
1849SOL M 12 2.595 3.214 11.311 0.3819 -0.4034 0.2084
1917SOL O 13 0.073 0.331 8.588 -0.0846 -0.2829 0.1015
1917SOL H 14 0.040 0.250 8.550 1.5099 -1.7739 1.7387
1917SOL H 15 0.108 0.380 8.513 1.7038 -2.4897 -0.6097
1917SOL M 16 0.073 0.327 8.573 0.3707 -0.7806 0.2260
2408SOL O 17 2.651 3.434 10.531 -0.0938 -0.5397 -0.3289
2408SOL H 18 2.585 3.408 10.468 -0.8752 0.4885 0.0373
2408SOL H 19 2.618 3.516 10.568 1.7921 0.4758 -0.7569
2408SOL M 20 2.638 3.442 10.528 0.0547 -0.2646 -0.3371
3.74455 3.74455 12.48183