📄 dmpc.smol
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118# DMPC Charmm-27 force field and chargesC1 -14.778 -15.353 12.085 0.63 CL O2 -13.894 -15.079 11.290 -0.52 OBL C3 -16.278 -15.126 11.925 -0.08 CTL2H4 -16.670 -14.899 12.940 0.09 HAL2 H5 -16.884 -15.948 11.487 0.09 HAL2 C6 -16.439 -13.920 10.993 -0.18 CTL2H7 -16.163 -14.179 9.949 0.09 HAL2 H8 -15.860 -13.008 11.252 0.09 HAL2 C9 -17.878 -13.498 10.901 -0.18 CTL2H10 -18.065 -12.919 11.830 0.09 HAL2 H11 -18.475 -14.394 11.176 0.09 HAL2 C12 -18.314 -12.847 9.608 -0.18 CTL2H13 -17.751 -13.260 8.744 0.09 HAL2 H14 -17.982 -11.793 9.488 0.09 HAL2 C15 -19.865 -12.875 9.422 -0.18 CTL2H16 -20.418 -12.772 10.380 0.09 HAL2 H17 -20.018 -13.928 9.102 0.09 HAL2 C18 -20.424 -11.836 8.405 -0.18 CTL2H19 -19.751 -11.766 7.524 0.09 HAL2 H20 -20.455 -10.790 8.776 0.09 HAL2 C21 -21.703 -12.169 7.778 -0.18 CTL2H22 -22.444 -12.395 8.575 0.09 HAL2 H23 -21.616 -13.113 7.199 0.09 HAL2 C24 -22.257 -10.932 7.098 -0.18 CTL2H25 -21.464 -10.442 6.493 0.09 HAL2 H26 -22.530 -10.151 7.840 0.09 HAL2 C27 -23.331 -11.309 6.114 -0.18 CTL2H28 -24.276 -11.533 6.654 0.09 HAL2 H29 -22.999 -12.238 5.602 0.09 HAL2 C30 -23.462 -10.152 5.103 -0.18 CTL2H31 -22.436 -9.767 4.922 0.09 HAL2 H32 -23.967 -9.286 5.582 0.09 HAL2 C33 -24.050 -10.408 3.754 -0.18 CTL2H34 -24.728 -11.281 3.865 0.09 HAL2 H35 -23.233 -10.736 3.077 0.09 HAL2 C36 -24.702 -9.137 3.142 -0.18 CTL2H37 -23.925 -8.538 2.620 0.09 HAL2 H38 -25.292 -8.560 3.886 0.09 HAL2 C39 -25.635 -9.669 2.013 -0.27 CTL3H40 -26.668 -9.893 2.355 0.09 HAL3 H41 -25.322 -10.704 1.758 0.09 HAL3 H42 -25.797 -8.857 0.742 0.09 HAL3 N43 -6.252 -17.181 17.120 -0.60 NTL C44 -6.434 -17.295 15.689 -0.10 CTL2C45 -6.773 -15.852 17.737 -0.35 CTL5C46 -4.822 -17.392 17.374 -0.35 CTL5C47 -7.011 -18.333 17.840 -0.35 CTL5H48 -6.222 -18.339 15.511 0.25 HL H49 -5.704 -16.731 15.128 0.25 HL H50 -7.802 -15.647 17.480 0.25 HL H51 -6.182 -14.978 17.505 0.25 HL H52 -6.768 -16.035 18.801 0.25 HL H53 -4.192 -16.594 17.009 0.25 HL H54 -4.493 -18.286 16.865 0.25 HL H55 -4.596 -17.646 18.399 0.25 HL H56 -6.807 -18.329 18.901 0.25 HL H57 -6.760 -19.317 17.473 0.25 HL H58 -8.068 -18.331 17.618 0.25 HL C59 -7.783 -16.886 15.035 -0.08 CTL2H60 -7.614 -17.102 13.958 0.09 HAL2 H61 -7.908 -15.812 15.290 0.09 HAL2 P62 -10.155 -17.093 15.977 1.5 PL O63 -10.139 -15.631 15.679 -0.78 O2L O64 -10.244 -17.492 17.394 -0.78 O2L O65 -11.293 -17.786 15.095 -0.57 OSL O66 -8.784 -17.731 15.512 -0.57 OSL C67 -11.262 -17.873 13.644 -0.08 CTL2H68 -10.869 -18.853 13.299 0.09 HAL2 H69 -10.644 -17.074 13.182 0.09 HAL2 C70 -12.757 -17.827 13.200 0.04 CTL1H71 -13.276 -18.641 13.750 0.09 HAL1O72 -12.661 -18.120 11.782 -0.34 OSL C73 -13.345 -16.406 13.630 -0.05 CTL2H74 -12.614 -15.701 13.179 0.09 HAL2H75 -13.330 -16.288 14.734 0.09 HAL2O76 -14.671 -16.200 13.100 -0.34 OSL C77 -13.711 -18.588 11.147 0.63 CL O78 -14.847 -18.831 11.605 -0.52 OBL C79 -13.327 -18.971 9.736 -0.08 CTL2H80 -13.708 -19.968 9.425 0.09 HAL2 H81 -12.219 -18.988 9.657 0.09 HAL2 C82 -13.706 -17.848 8.709 -0.18 CTL2H83 -13.372 -18.172 7.700 0.09 HAL2 H84 -13.112 -16.957 9.005 0.09 HAL2 C85 -15.181 -17.632 8.689 -0.18 CTL2H86 -15.543 -17.336 9.697 0.09 HAL2 H87 -15.692 -18.610 8.563 0.09 HAL2 C88 -15.475 -16.660 7.570 -0.18 CTL2H89 -15.007 -17.134 6.681 0.09 HAL2 H90 -14.918 -15.708 7.710 0.09 HAL2 C91 -16.976 -16.331 7.537 -0.18 CTL2H92 -17.297 -15.769 8.440 0.09 HAL2 H93 -17.468 -17.322 7.428 0.09 HAL2 C94 -17.210 -15.604 6.211 -0.18 CTL2H95 -16.731 -16.117 5.350 0.09 HAL2 H96 -16.665 -14.649 6.372 0.09 HAL2 C97 -18.670 -15.199 5.865 -0.18 CTL2H98 -19.009 -14.308 6.436 0.09 HAL2 H99 -19.254 -16.032 6.311 0.09 HAL2 C100 -18.849 -14.988 4.347 -0.18 CTL2H101 -18.558 -15.841 3.698 0.09 HAL2 H102 -18.298 -14.048 4.132 0.09 HAL2 C103 -20.283 -14.446 4.047 -0.18 CTL2H104 -20.670 -13.696 4.770 0.09 HAL2 H105 -20.976 -15.310 4.131 0.09 HAL2 C106 -20.277 -13.793 2.682 -0.18 CTL2H107 -19.769 -14.439 1.934 0.09 HAL2 H108 -19.651 -12.876 2.709 0.09 HAL2 C109 -21.564 -13.512 2.030 -0.18 CTL2H110 -22.161 -12.726 2.539 0.09 HAL2 H111 -22.262 -14.376 2.042 0.09 HAL2 C112 -21.384 -13.096 0.539 -0.18 CTL2H113 -20.701 -13.819 0.042 0.09 HAL2 H114 -20.991 -12.063 0.427 0.09 HAL2 C115 -22.769 -13.104 -0.208 -0.27 CTL3H116 -23.444 -12.501 0.437 0.09 HAL3 H117 -23.236 -14.104 -0.334 0.09 HAL3 H118 -22.852 -12.475 -1.637 0.09 HAL3 117 1 2 1.22000 31 CL -OBL 1 3 1.52200 8 CL -CTL2 1 76 1.33400 6 CL -OSL 3 4 1.11100 12 CTL2-HAL 3 5 1.11100 12 CTL2-HAL 3 6 1.53000 9 CTL2-CTL2 6 7 1.11100 12 CTL2-HAL 6 8 1.11100 12 CTL2-HAL 6 9 1.53000 9 CTL2-CTL2 9 10 1.11100 12 CTL2-HAL 9 11 1.11100 12 CTL2-HAL 9 12 1.53000 9 CTL2-CTL2 12 13 1.11100 12 CTL2-HAL 12 14 1.11100 12 CTL2-HAL 12 15 1.53000 9 CTL2-CTL2 15 16 1.11100 12 CTL2-HAL 15 17 1.11100 12 CTL2-HAL 15 18 1.53000 9 CTL2-CTL2 18 19 1.11100 12 CTL2-HAL 18 20 1.11100 12 CTL2-HAL 18 21 1.53000 9 CTL2-CTL2 21 22 1.11100 12 CTL2-HAL 21 23 1.11100 12 CTL2-HAL 21 24 1.53000 9 CTL2-CTL2 24 25 1.11100 12 CTL2-HAL 24 26 1.11100 12 CTL2-HAL 24 27 1.53000 9 CTL2-CTL2 27 28 1.11100 12 CTL2-HAL 27 29 1.11100 12 CTL2-HAL 27 30 1.53000 9 CTL2-CTL2 30 31 1.11100 12 CTL2-HAL 30 32 1.11100 12 CTL2-HAL 30 33 1.53000 9 CTL2-CTL2 33 34 1.11100 12 CTL2-HAL 33 35 1.11100 12 CTL2-HAL 33 36 1.53000 9 CTL2-CTL2 36 37 1.11100 12 CTL2-HAL 36 38 1.11100 12 CTL2-HAL 36 39 1.52800 9 CTL2-CTL3 39 40 1.11100 13 CTL3-HAL 39 41 1.11100 13 CTL3-HAL 39 42 1.11100 13 CTL3-HAL 43 44 1.51000 9 NTL -CTL2 43 45 1.51000 9 NTL -CTL3 43 46 1.51000 9 NTL -CTL3 43 47 1.51000 9 NTL -CTL3 44 48 1.08000 12 CTL2-HL 44 49 1.08000 12 CTL2-HL 44 59 1.53000 9 CTL2-CTL2 45 50 1.08000 12 CTL3-HL 45 51 1.08000 12 CTL3-HL 45 52 1.08000 12 CTL3-HL 46 53 1.08000 12 CTL3-HL 46 54 1.08000 12 CTL3-HL 46 55 1.08000 12 CTL3-HL 47 56 1.08000 12 CTL3-HL 47 57 1.08000 12 CTL3-HL 47 58 1.08000 12 CTL3-HL 59 60 1.11100 12 CTL2-HAL 59 61 1.11100 12 CTL2-HAL 59 66 1.43000 14 CTL2-OSL 62 63 1.48000 24 PL -O2L 62 64 1.48000 24 PL -O2L 62 65 1.60000 11 PL -OSL 62 66 1.60000 11 PL -OSL 65 67 1.43000 14 OSL -CTL2 67 68 1.11100 12 CTL2-HAL 67 69 1.11100 12 CTL2-HAL 67 70 1.53800 9 CTL2-CTL1 70 71 1.11100 12 CTL1-HAL 70 72 1.43000 14 CTL1-OSL 70 73 1.53800 9 CTL1-CTL2 73 74 1.11100 12 CTL2-HAL 73 75 1.11100 12 CTL2-HAL 73 76 1.43000 14 CTL2-OSL 72 77 77 78 1.22000 31 CL -OBL 77 79 1.52200 8 CL -CTL2 79 80 1.11100 12 CTL2-HAL 79 81 1.11100 12 CTL2-HAL 79 82 1.53000 9 CTL2-CTL2 82 83 1.11100 12 CTL2-HAL 82 84 1.11100 12 CTL2-HAL 82 85 1.53000 9 CTL2-CTL2 85 86 1.11100 12 CTL2-HAL 85 87 1.11100 12 CTL2-HAL 85 88 1.53000 9 CTL2-CTL2 88 89 1.11100 12 CTL2-HAL 88 90 1.11100 12 CTL2-HAL 88 91 1.53000 9 CTL2-CTL2 91 92 1.11100 12 CTL2-HAL 91 93 1.11100 12 CTL2-HAL 91 94 1.53000 9 CTL2-CTL2 94 95 1.11100 12 CTL2-HAL 94 96 1.11100 12 CTL2-HAL 94 97 1.53000 9 CTL2-CTL2 97 98 1.11100 12 CTL2-HAL 97 99 1.11100 12 CTL2-HAL 97 100 1.53000 9 CTL2-CTL2 100 101 1.11100 12 CTL2-HAL 100 102 1.11100 12 CTL2-HAL 100 103 1.53000 9 CTL2-CTL2 103 104 1.11100 12 CTL2-HAL 103 105 1.11100 12 CTL2-HAL 103 106 1.53000 9 CTL2-CTL2 106 107 1.11100 12 CTL2-HAL 106 108 1.11100 12 CTL2-HAL 106 109 1.53000 9 CTL2-CTL2 109 110 1.11100 12 CTL2-HAL 109 111 1.11100 12 CTL2-HAL 109 112 1.53000 9 CTL2-CTL2 112 113 1.11100 12 CTL2-HAL 112 114 1.11100 12 CTL2-HAL 112 115 1.52800 9 CTL2-CTL3 115 116 1.11100 13 CTL3-HAL 115 117 1.11100 13 CTL3-HAL 115 118 1.11100 13 CTL3-HAL
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