-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathframe_120.gro
23 lines (23 loc) · 1.42 KB
/
frame_120.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_120 t= 119000.00000 step= 59500000
20
1132SOL O 1 2.291 3.637 10.978 0.2010 0.0022 0.1271
1132SOL H 2 2.382 3.662 10.996 0.6292 -0.7671 -0.8406
1132SOL H 3 2.275 3.561 11.034 1.2989 -1.9603 -2.0421
1132SOL M 4 2.301 3.630 10.988 0.4064 -0.3655 -0.2952
1180SOL O 5 2.881 3.305 11.318 0.3639 0.2188 0.5112
1180SOL H 6 2.937 3.310 11.240 -0.5462 0.2187 -0.1474
1180SOL H 7 2.879 3.212 11.340 0.3225 0.1754 0.3197
1180SOL M 8 2.889 3.293 11.311 0.2359 0.2130 0.3972
1849SOL O 9 2.316 3.509 10.736 0.3742 0.1328 -0.2597
1849SOL H 10 2.317 3.566 10.659 2.3907 1.5708 0.7235
1849SOL H 11 2.291 3.567 10.808 0.1126 -0.8070 0.4237
1849SOL M 12 2.313 3.525 10.735 0.6104 0.1999 -0.0353
1917SOL O 13 3.470 0.379 9.428 0.2198 -0.3603 -0.3805
1917SOL H 14 3.450 0.444 9.495 1.0398 1.8114 -2.1272
1917SOL H 15 3.554 0.341 9.456 1.6431 2.0199 -1.1395
1917SOL M 16 3.479 0.383 9.441 0.5217 0.2523 -0.7172
2408SOL O 17 2.583 3.463 10.667 0.4296 -0.0521 0.0207
2408SOL H 18 2.493 3.465 10.701 0.4070 -0.3946 -0.0161
2408SOL H 19 2.636 3.431 10.739 0.9268 2.4980 0.9179
2408SOL M 20 2.578 3.459 10.681 0.4933 0.2450 0.1373
3.74636 3.74636 12.48788