-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_150.gro
23 lines (23 loc) · 1.42 KB
/
frame_150.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_150 t= 149000.00000 step= 74500000
20
1132SOL O 1 2.498 3.745 11.120 0.5512 0.2131 0.3223
1132SOL H 2 2.499 3.680 11.191 0.4193 1.6874 1.7393
1132SOL H 3 2.573 3.723 11.066 -0.0128 -1.6609 0.2377
1132SOL M 4 2.508 3.734 11.123 0.4574 0.1593 0.5016
1180SOL O 5 2.862 3.313 11.395 0.0741 -0.1015 -0.1136
1180SOL H 6 2.924 3.323 11.322 -1.0517 0.7163 -0.9926
1180SOL H 7 2.849 3.219 11.402 -0.1907 -0.1737 -1.3297
1180SOL M 8 2.869 3.302 11.386 -0.1130 -0.0012 -0.3958
1849SOL O 9 2.644 3.352 11.206 0.0519 -0.0910 -0.0234
1849SOL H 10 2.675 3.376 11.119 1.2881 0.1955 0.4717
1849SOL H 11 2.724 3.334 11.256 -0.5747 0.7585 1.3401
1849SOL M 12 2.659 3.353 11.201 0.1339 0.0619 0.2270
1917SOL O 13 2.999 0.624 9.023 0.3160 0.4003 0.9192
1917SOL H 14 2.948 0.619 9.104 -1.5099 -1.6983 -0.2362
1917SOL H 15 2.940 0.664 8.959 1.4423 1.2836 0.3906
1917SOL M 16 2.984 0.629 9.025 0.2218 0.2367 0.6924
2408SOL O 17 2.959 0.041 10.488 -0.1472 0.3246 0.1703
2408SOL H 18 2.878 0.080 10.522 0.4901 2.3182 -0.4711
2408SOL H 19 3.020 0.045 10.562 -0.4755 -0.8336 0.5360
2408SOL M 20 2.956 0.046 10.503 -0.1055 0.4370 0.1330
3.75189 3.75189 12.50630