Editing TIP4P2005f-N500.gro
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water TIP4P/2005f | |||
2000 | |||
1water OW1 1 0.498 2.389 1.188 0.1318 -0.1811 -0.4239 | |||
1water HW2 2 0.587 2.411 1.176 3.1614 1.8119 -2.7412 | |||
1water HW3 3 0.471 2.374 1.100 -1.8041 -0.9575 -2.7066 | |||
1water MW4 4 0.506 2.390 1.175 0.2760 -0.0203 -1.0306 | |||
2water OW1 5 2.124 1.567 1.859 0.9570 -0.0133 -0.7568 | |||
2water HW2 6 2.059 1.533 1.925 0.6544 0.6295 1.8104 | |||
2water HW3 7 2.104 1.531 1.772 -1.8442 0.4376 2.1505 | |||
2water MW4 8 2.113 1.558 1.856 0.5472 0.1311 -0.0352 | |||
3water OW1 9 2.206 2.068 1.976 -0.2143 0.4985 -0.0557 | |||
3water HW2 10 2.277 2.032 2.033 2.4381 0.0041 1.0462 | |||
3water HW3 11 2.153 1.997 1.944 0.6529 1.4979 -0.4573 | |||
3water MW4 12 2.209 2.054 1.979 0.2491 0.5639 0.0370 | |||
4water OW1 13 0.263 0.229 0.913 0.4096 -0.2494 -0.1876 | |||
4water HW2 14 0.278 0.155 0.857 0.7138 0.1914 0.8892 | |||
4water HW3 15 0.241 0.292 0.845 -0.7642 -0.7127 -1.7322 | |||
4water MW4 16 0.262 0.227 0.897 0.2949 -0.2524 -0.2494 | |||
5water OW1 17 2.273 0.795 2.503 1.4094 0.0309 -0.3021 | |||
5water HW2 18 2.205 0.772 2.443 2.0575 -0.9642 -1.0209 | |||
5water HW3 19 2.286 0.889 2.479 1.4129 0.3669 -1.1891 | |||
5water MW4 20 2.266 0.804 2.492 1.4949 -0.0560 -0.5126 | |||
6water OW1 21 1.800 1.759 2.105 -0.5729 1.2459 0.1932 | |||
6water HW2 22 1.758 1.829 2.160 -1.4862 -0.1667 -4.1222 | |||
6water HW3 23 1.784 1.794 2.016 -0.9938 -1.4853 -0.3440 | |||
6water MW4 24 1.792 1.773 2.101 -0.7486 0.6986 -0.4470 | |||
7water OW1 25 1.116 0.911 1.626 -0.2298 0.2646 0.1115 | |||
7water HW2 26 1.113 0.820 1.657 0.6259 0.9894 0.7496 | |||
7water HW3 27 1.161 0.910 1.542 -1.5712 1.8303 -0.9818 | |||
7water MW4 28 1.122 0.898 1.619 -0.2944 0.5668 0.0513 | |||
8water OW1 29 0.972 0.175 1.494 -0.0537 -0.7358 -0.0758 | |||
8water HW2 30 1.023 0.178 1.411 -0.2718 2.7938 3.1357 | |||
8water HW3 31 0.882 0.200 1.459 -0.6205 1.7233 -1.8190 | |||
8water MW4 32 0.967 0.179 1.478 -0.1571 0.0543 0.1174 | |||
9water OW1 33 0.926 0.685 1.049 0.0672 -0.1206 -0.3710 | |||
9water HW2 34 0.954 0.618 1.110 -3.4057 -1.7508 -0.3690 | |||
9water HW3 35 0.857 0.735 1.102 -0.4981 0.4742 -0.5547 | |||
9water MW4 36 0.920 0.683 1.064 -0.4655 -0.2572 -0.3952 | |||
10water OW1 37 2.022 0.670 0.540 0.4054 -0.2707 -0.1895 | |||
10water HW2 38 2.049 0.743 0.486 -1.5825 1.2283 1.2051 | |||
10water HW3 39 2.064 0.595 0.496 -0.3429 2.2479 1.0141 | |||
10water MW4 40 2.031 0.670 0.527 0.0453 0.2596 0.1532 | |||
11water OW1 41 1.473 0.940 0.648 0.0742 0.1133 -0.6540 | |||
11water HW2 42 1.486 0.856 0.617 -1.1914 -0.8402 1.1605 | |||
11water HW3 43 1.560 0.985 0.653 -0.5348 0.3265 -2.0258 | |||
11water MW4 44 1.486 0.935 0.644 -0.1729 0.0155 -0.5955 | |||
12water OW1 45 1.870 1.455 1.320 -0.3032 -0.4628 0.4550 | |||
12water HW2 46 1.841 1.376 1.364 -0.1632 -1.0197 1.5535 | |||
12water HW3 47 1.843 1.452 1.228 -2.5071 0.0590 0.1148 | |||
12water MW4 48 1.863 1.445 1.314 -0.5758 -0.4679 0.5549 | |||
13water OW1 49 1.378 1.250 2.435 -0.3616 -0.5442 -0.0537 | |||
13water HW2 50 1.467 1.220 2.445 0.4245 -2.5222 -0.1076 | |||
13water HW3 51 1.357 1.313 2.502 0.4344 0.8132 -2.4885 | |||
13water MW4 52 1.387 1.254 2.445 -0.1526 -0.6258 -0.3815 | |||
14water OW1 53 0.287 1.086 0.642 0.3081 0.1897 0.5363 | |||
14water HW2 54 0.209 1.030 0.653 -1.8286 0.2292 -0.4854 | |||
14water HW3 55 0.289 1.132 0.723 -1.4442 1.6984 -1.3044 | |||
14water MW4 56 0.277 1.085 0.654 -0.2050 0.3934 0.1588 | |||
15water OW1 57 2.202 0.533 0.865 -0.5976 -0.3174 -0.1659 | |||
15water HW2 58 2.224 0.441 0.855 1.0241 -0.8861 1.1816 | |||
15water HW3 59 2.232 0.574 0.778 -1.8613 0.1085 2.8958 | |||
15water MW4 60 2.209 0.526 0.852 -0.5496 -0.3362 0.4160 | |||
16water OW1 61 0.499 0.951 2.449 0.1004 -0.1295 -0.3482 | |||
16water HW2 62 0.445 1.027 2.427 0.9337 0.0295 0.7801 | |||
16water HW3 63 0.570 0.936 2.382 2.4873 -1.0312 -1.5623 | |||
16water MW4 64 0.501 0.959 2.437 0.5254 -0.2274 -0.3600 | |||
17water OW1 65 1 |