-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_162.gro
23 lines (23 loc) · 1.42 KB
/
frame_162.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_162 t= 161000.00000 step= 80500000
20
1132SOL O 1 2.372 3.739 11.074 0.6498 -0.2659 0.0811
1132SOL H 2 2.358 3.649 11.103 -0.1306 -0.3729 -0.5895
1132SOL H 3 2.453 3.735 11.022 1.2436 -0.3495 1.0002
1132SOL M 4 2.381 3.726 11.071 0.6247 -0.2915 0.1144
1180SOL O 5 2.829 3.203 11.382 -0.2965 0.1469 -0.2228
1180SOL H 6 2.867 3.242 11.303 0.9551 -0.4294 0.0557
1180SOL H 7 2.837 3.108 11.368 -1.9402 -0.0074 -0.2690
1180SOL M 8 2.836 3.195 11.370 -0.3492 0.0485 -0.1912
1849SOL O 9 2.556 3.183 11.350 -0.0833 0.1766 0.1766
1849SOL H 10 2.530 3.206 11.261 1.9008 -0.2637 -0.5450
1849SOL H 11 2.649 3.205 11.355 -0.5360 2.0460 2.7831
1849SOL M 12 2.565 3.189 11.339 0.1229 0.3690 0.4301
1917SOL O 13 2.906 0.604 9.003 -0.4967 -0.5201 -0.2284
1917SOL H 14 2.842 0.648 8.947 1.4625 0.2601 -1.9892
1917SOL H 15 2.853 0.565 9.073 -2.8625 0.1026 -1.5366
1917SOL M 16 2.890 0.605 9.005 -0.5515 -0.3313 -0.6423
2408SOL O 17 2.624 3.481 10.504 0.2592 -0.6529 -0.2040
2408SOL H 18 2.544 3.493 10.453 0.7889 -0.0627 -0.9038
2408SOL H 19 2.614 3.542 10.578 0.3214 -0.1678 -0.5963
2408SOL M 20 2.612 3.491 10.507 0.3389 -0.5080 -0.3505
3.74722 3.74722 12.49073