-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_146.gro
23 lines (23 loc) · 1.42 KB
/
frame_146.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_146 t= 145000.00000 step= 72500000
20
1132SOL O 1 2.470 0.090 11.144 0.5410 0.2071 0.4214
1132SOL H 2 2.467 0.001 11.178 0.0911 0.1779 0.3163
1132SOL H 3 2.540 0.088 11.079 -0.2881 -0.4038 -0.4797
1132SOL M 4 2.479 0.078 11.140 0.3688 0.1210 0.2856
1180SOL O 5 2.903 3.303 11.351 0.3626 0.2141 -0.0381
1180SOL H 6 2.975 3.326 11.292 1.5937 -1.1343 0.8746
1180SOL H 7 2.879 3.214 11.326 0.0781 0.0770 0.7085
1180SOL M 8 2.909 3.294 11.340 0.4901 0.0142 0.1850
1849SOL O 9 2.675 3.455 11.189 0.2013 0.1428 0.3599
1849SOL H 10 2.700 3.437 11.098 -0.3839 -0.8390 0.3788
1849SOL H 11 2.746 3.418 11.241 -0.1292 -0.5483 0.3367
1849SOL M 12 2.688 3.447 11.184 0.0781 -0.0823 0.3595
1917SOL O 13 2.987 0.667 8.957 0.3810 -0.1421 -0.2392
1917SOL H 14 2.909 0.617 8.982 -0.8172 1.6359 -0.2042
1917SOL H 15 2.965 0.701 8.870 2.0964 -1.4579 -1.2410
1917SOL M 16 2.973 0.665 8.948 0.4507 -0.0799 -0.3695
2408SOL O 17 2.907 3.705 10.598 0.3543 -0.2025 0.4705
2408SOL H 18 2.841 0.027 10.593 1.2512 0.5694 -1.4108
2408SOL H 19 2.933 3.703 10.690 -2.0434 -0.3325 1.1996
2408SOL M 20 2.902 3.714 10.610 0.1522 -0.1160 0.3157
3.74747 3.74747 12.49157