-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_123.gro
23 lines (23 loc) · 1.42 KB
/
frame_123.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_123 t= 122000.00000 step= 61000000
20
1132SOL O 1 2.459 0.059 11.091 -0.3021 -0.4762 -0.6906
1132SOL H 2 2.486 3.741 11.152 0.1439 0.8694 0.6485
1132SOL H 3 2.540 0.099 11.060 -0.5753 -0.0383 -0.8682
1132SOL M 4 2.473 0.056 11.095 -0.2787 -0.2361 -0.5341
1180SOL O 5 2.958 3.302 11.359 0.2400 -0.1558 -0.3873
1180SOL H 6 2.983 3.310 11.267 -3.6283 -0.1286 -1.6024
1180SOL H 7 2.946 3.208 11.373 -0.4769 -0.0606 -0.3110
1180SOL M 8 2.960 3.290 11.349 -0.3771 -0.1394 -0.5407
1849SOL O 9 2.511 3.230 11.226 0.0980 -0.3555 -0.2898
1849SOL H 10 2.499 3.224 11.131 1.4711 -0.2163 -0.4899
1849SOL H 11 2.592 3.279 11.236 -0.3314 0.1147 0.9780
1849SOL M 12 2.520 3.236 11.214 0.2249 -0.2733 -0.1459
1917SOL O 13 3.511 0.392 9.405 0.4298 0.3997 -0.4877
1917SOL H 14 3.472 0.454 9.467 -0.6205 0.0227 -0.7610
1917SOL H 15 3.598 0.375 9.441 0.0450 0.6187 0.5827
1917SOL M 16 3.518 0.398 9.418 0.2366 0.3784 -0.3805
2408SOL O 17 2.562 3.474 10.575 0.6432 0.6703 -0.0584
2408SOL H 18 2.499 3.524 10.627 -0.0647 -1.2359 1.0270
2408SOL H 19 2.607 3.419 10.639 0.5924 -0.8917 -1.3116
2408SOL M 20 2.559 3.474 10.590 0.5411 0.2037 -0.0815
3.74966 3.74966 12.49888