Hi, Justin: I post my coordinate with protein translated by trjconv By this gro file, I get 0 structure and 13 coils.
regards, Hsin-Lin Generated by trjconv : Protein in water t= 0.00000 144 1LEU N 1 2.499 1.707 2.735 -0.1664 0.1749 0.5034 1LEU H1 2 2.496 1.753 2.824 -0.0517 -2.4571 1.9862 1LEU H2 3 2.456 1.619 2.755 0.1871 0.0557 0.7811 1LEU H3 4 2.591 1.691 2.698 -0.0836 0.9027 0.3938 1LEU CA 5 2.419 1.772 2.633 -0.3054 -0.5208 0.2431 1LEU CB 6 2.277 1.809 2.687 0.1445 -0.1872 -0.2452 1LEU CG 7 2.202 1.686 2.731 -0.2024 0.3028 0.1044 1LEU CD1 8 2.063 1.737 2.778 0.2195 0.2407 0.1571 1LEU CD2 9 2.197 1.583 2.615 0.2120 -0.5339 0.1770 1LEU C 10 2.479 1.897 2.572 0.1063 -0.1920 0.0451 1LEU O 11 2.483 2.008 2.627 0.2017 -0.4490 0.0233 2TYR N 12 2.493 1.882 2.437 -0.1877 -0.3169 -0.5678 2TYR H 13 2.446 1.812 2.384 0.6045 -1.4218 0.1228 2TYR CA 14 2.568 1.987 2.363 -0.2499 0.5688 -0.4543 2TYR CB 15 2.589 1.933 2.224 0.6646 -0.2988 -0.3037 2TYR CG 16 2.641 2.031 2.122 0.0017 0.2452 -0.1870 2TYR CD1 17 2.772 2.065 2.121 -0.4594 -0.2211 -0.0739 2TYR HD1 18 2.841 2.029 2.196 -0.1936 2.1660 0.9115 2TYR CD2 19 2.561 2.096 2.031 0.6321 -0.0604 0.5143 2TYR HD2 20 2.454 2.077 2.025 0.6551 0.1338 -0.9454 2TYR CE1 21 2.827 2.158 2.032 -0.1241 0.2352 -0.6043 2TYR HE1 22 2.935 2.169 2.027 -0.0121 -0.2184 0.4867 2TYR CE2 23 2.607 2.183 1.935 -0.7318 -0.3641 0.2984 2TYR HE2 24 2.537 2.240 1.874 2.4629 1.6445 -1.8271 2TYR CZ 25 2.744 2.223 1.938 -0.9702 -0.5296 0.3816 2TYR OH 26 2.796 2.320 1.854 0.1652 0.2056 -0.1630 2TYR HH 27 2.714 2.370 1.829 -0.0067 -0.1509 -0.3161 2TYR C 28 2.492 2.121 2.359 -0.9847 -0.4718 -0.5034 2TYR O 29 2.369 2.129 2.344 0.1513 0.3775 -0.1130 3GLN N 30 2.564 2.228 2.385 -0.2495 0.1552 0.8649 3GLN H 31 2.647 2.221 2.441 -0.1774 -3.6419 0.5524 3GLN CA 32 2.519 2.362 2.357 0.6342 0.0752 -0.4227 3GLN CB 33 2.615 2.451 2.432 0.3037 -0.2198 0.6973 3GLN CG 34 2.569 2.596 2.453 -0.2200 0.0688 -0.5109 3GLN CD 35 2.556 2.690 2.327 0.9953 0.3411 -0.2090 3GLN OE1 36 2.640 2.694 2.240 -0.9468 -0.2495 -0.6126 3GLN NE2 37 2.449 2.761 2.321 -0.4839 0.0971 -0.2517 3GLN HE21 38 2.384 2.757 2.397 -0.8822 0.9806 -0.5342 3GLN HE22 39 2.443 2.818 2.239 1.3155 1.4839 0.4945 3GLN C 40 2.501 2.401 2.207 0.2212 -0.2300 0.2782 3GLN O 41 2.596 2.416 2.125 -0.3813 -0.0351 0.0925 4LEU N 42 2.377 2.427 2.177 -0.1825 0.0192 -0.2668 4LEU H 43 2.302 2.432 2.243 1.4715 -0.4825 1.7638 4LEU CA 44 2.342 2.451 2.033 0.2037 0.0368 -0.1113 4LEU CB 45 2.230 2.360 1.985 -0.4049 -0.4174 -0.1918 4LEU CG 46 2.193 2.374 1.838 0.7678 -0.3161 0.4261 4LEU CD1 47 2.243 2.255 1.755 0.7379 0.9397 0.6576 4LEU CD2 48 2.041 2.401 1.828 -0.2357 0.6221 -0.0518 4LEU C 49 2.300 2.600 2.014 0.1156 -0.7579 0.2678 4LEU O 50 2.183 2.641 2.032 0.0777 -0.1884 0.5428 5GLU N 51 2.402 2.676 1.977 0.1065 0.0801 -0.1886 5GLU H 52 2.499 2.669 2.001 -0.3871 0.9888 2.3980 5GLU CA 53 2.367 2.813 1.924 -0.4424 0.3677 0.0128 5GLU CB 54 2.465 2.914 1.989 -0.0708 -0.1784 0.3292 5GLU CG 55 2.431 3.059 2.017 0.0676 0.0058 -0.4907 5GLU CD 56 2.423 3.160 1.897 -0.1295 0.3354 0.1946 5GLU OE1 57 2.530 3.183 1.835 0.3233 -0.4874 0.7816 5GLU OE2 58 2.313 3.196 1.854 0.6508 -0.0618 0.6984 5GLU C 59 2.391 2.807 1.773 0.6638 -0.1591 -0.6210 5GLU O 60 2.500 2.836 1.726 -0.0179 -0.4997 -0.0116 6ASN N 61 2.278 2.810 1.704 -0.1838 -0.0571 0.1524 6ASN H 62 2.193 2.843 1.747 -1.7146 -1.5150 -1.5696 6ASN CA 63 2.278 2.779 1.562 -0.0805 -0.8216 0.6185 6ASN CB 64 2.200 2.652 1.531 -0.5886 -0.3894 -0.0808 6ASN CG 65 2.285 2.528 1.538 -0.1917 0.0598 0.1828 6ASN OD1 66 2.367 2.510 1.624 -0.1949 0.0958 0.2131 6ASN ND2 67 2.262 2.432 1.453 -0.0713 0.3669 0.1154 6ASN HD21 68 2.176 2.451 1.407 -1.5107 -0.4210 2.3205 6ASN HD22 69 2.323 2.356 1.434 -0.8178 -0.7718 1.9579 6ASN C 70 2.223 2.893 1.484 -0.0883 0.1244 -0.1837 6ASN O1 71 2.111 2.941 1.505 -0.2557 -0.4837 -0.1041 6ASN O2 72 2.313 2.953 1.419 -0.5561 0.0660 0.4455 7LEU N 73 1.111 2.804 2.186 0.3062 -0.5955 -0.0550 7LEU H1 74 1.174 2.856 2.129 0.2303 -0.3221 0.1077 7LEU H2 75 1.019 2.834 2.164 0.0461 -1.9085 -0.8807 7LEU H3 76 1.126 2.815 2.284 0.4122 -2.4532 0.1866 7LEU CA 77 1.119 2.659 2.168 0.4439 0.3219 0.1920 7LEU CB 78 1.065 2.580 2.290 0.1893 0.7407 0.4674 7LEU CG 79 1.085 2.429 2.286 -0.3605 0.1679 0.1372 7LEU CD1 80 1.237 2.384 2.277 0.3311 -0.4092 0.3485 7LEU CD2 81 1.017 2.370 2.407 -0.0510 0.3161 -0.2535 7LEU C 82 1.054 2.605 2.036 -0.5425 0.2570 -0.0982 7LEU O 83 0.932 2.605 2.009 0.5537 -0.1985 0.5728 8TYR N 84 1.145 2.540 1.969 -0.4316 0.1827 -0.1087 8TYR H 85 1.242 2.554 1.991 -0.7733 1.5318 0.6050 8TYR CA 86 1.130 2.452 1.849 -0.2270 -0.1076 -0.8653 8TYR CB 87 1.171 2.536 1.732 -0.3024 0.2551 0.3837 8TYR CG 88 1.164 2.479 1.587 0.1807 -0.6891 -0.4950 8TYR CD1 89 1.074 2.383 1.547 0.4151 -0.4168 0.3628 8TYR HD1 90 0.992 2.374 1.617 0.5971 0.1568 0.6583 8TYR CD2 91 1.277 2.493 1.505 -0.0975 -0.2077 -0.0153 8TYR HD2 92 1.361 2.557 1.531 -0.2867 -0.1036 0.3676 8TYR CE1 93 1.086 2.309 1.432 0.1265 0.0409 0.4196 8TYR HE1 94 1.027 2.218 1.421 -1.4249 1.1394 -0.9377 8TYR CE2 95 1.283 2.426 1.381 0.0193 0.3605 -0.7563 8TYR HE2 96 1.371 2.444 1.319 1.0230 1.0179 0.8015 8TYR CZ 97 1.188 2.333 1.343 0.3042 0.2754 0.1067 8TYR OH 98 1.192 2.280 1.219 0.1044 0.0574 0.4195 8TYR HH 99 1.116 2.216 1.208 1.8924 -2.0623 -0.4187 8TYR C 100 1.204 2.322 1.856 -0.1562 0.9065 0.6949 8TYR O 101 1.325 2.322 1.869 -0.4089 -0.5515 0.0368 9GLN N 102 1.127 2.211 1.859 -0.1041 -0.9648 -0.0726 9GLN H 103 1.028 2.216 1.866 -0.0213 -0.9055 1.7059 9GLN CA 104 1.190 2.079 1.876 0.2408 0.0804 0.0683 9GLN CB 105 1.124 2.016 1.997 0.0726 -0.3357 0.2763 9GLN CG 106 1.197 2.060 2.124 0.2194 0.1012 0.3405 9GLN CD 107 1.130 1.997 2.248 -0.4181 0.1293 -0.6010 9GLN OE1 108 1.023 2.036 2.292 -0.2051 -0.1900 0.1232 9GLN NE2 109 1.181 1.887 2.292 -0.3581 0.6878 0.3867 9GLN HE21 110 1.241 1.834 2.233 -1.1830 0.3448 -0.1534 9GLN HE22 111 1.143 1.840 2.372 1.6496 1.8603 2.1410 9GLN C 112 1.170 2.005 1.745 0.3840 -0.5229 0.3516 9GLN O 113 1.062 2.017 1.689 -0.7908 -0.0106 0.2891 10LEU N 114 1.285 1.964 1.689 -0.2339 0.2740 0.5923 10LEU H 115 1.369 1.993 1.735 -0.0502 1.9043 -0.6774 10LEU CA 116 1.305 1.904 1.557 0.5504 0.0009 -0.0746 10LEU CB 117 1.355 2.002 1.454 -0.5733 -0.0394 0.5322 10LEU CG 118 1.409 1.954 1.320 0.2018 -1.1430 0.6864 10LEU CD1 119 1.291 1.896 1.244 0.3218 -0.6662 -0.0855 10LEU CD2 120 1.484 2.066 1.245 -0.4351 -0.3578 0.1148 10LEU C 121 1.385 1.770 1.568 0.6352 -0.4683 0.3665 10LEU O 122 1.504 1.785 1.584 -0.7087 -0.4803 -0.6135 11GLU N 123 1.318 1.657 1.551 -0.7690 0.3531 -0.3536 11GLU H 124 1.227 1.661 1.509 -0.5836 0.1171 -0.7863 11GLU CA 125 1.384 1.528 1.573 0.2213 0.0654 -0.5702 11GLU CB 126 1.301 1.427 1.658 -0.3925 -0.1676 -0.0424 11GLU CG 127 1.305 1.477 1.799 -0.1339 -0.0701 -0.8319 11GLU CD 128 1.212 1.399 1.895 -0.2284 0.6451 -0.1694 11GLU OE1 129 1.093 1.425 1.899 -0.0761 0.2707 0.5798 11GLU OE2 130 1.261 1.304 1.963 0.1320 0.1556 0.1656 11GLU C 131 1.429 1.461 1.448 -0.6174 -0.7459 0.7565 11GLU O 132 1.351 1.393 1.378 0.0471 0.2366 0.3611 12ASN N 133 1.557 1.481 1.416 -0.1975 0.0440 0.6480 12ASN H 134 1.617 1.512 1.490 1.1138 1.0357 -0.7510 12ASN CA 135 1.619 1.413 1.302 0.2119 0.3743 -0.0748 12ASN CB 136 1.659 1.527 1.202 0.0785 -0.0388 -0.5075 12ASN CG 137 1.609 1.494 1.061 -0.5358 0.5714 -0.1604 12ASN OD1 138 1.493 1.518 1.038 0.3125 -0.1729 0.0001 12ASN ND2 139 1.687 1.435 0.971 -0.4423 0.5272 -0.1120 12ASN HD21 140 1.777 1.401 0.995 -0.4365 1.0512 0.6434 12ASN HD22 141 1.652 1.412 0.880 0.6790 -1.4313 -0.1016 12ASN C 142 1.732 1.324 1.357 -0.0019 -0.4376 0.2441 12ASN O1 143 1.798 1.364 1.456 -0.5732 0.5215 0.5206 12ASN O2 144 1.758 1.218 1.296 0.3692 -0.2774 0.0431 4.16562 4.16562 4.16562 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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