# This file was created Wed Jan 7 15:54:25 2015 # by the following command: # g_mindist -s dynamic.tpr -f dynamic_pbc.xtc -od mindist_PW.xvg -on mindistnum_PW.xvg -or mindistres_PW.xvg -printresname -respertime -tu us -n index.ndx # # g_mindist is part of G R O M A C S: # # Glycine aRginine prOline Methionine Alanine Cystine Serine # @ title "Minimum Distance" @ xaxis label "Time (us)" @ yaxis label "Distance (nm)" @TYPE xy @ view 0.15, 0.15, 0.75, 0.85 @ legend on @ legend box on @ legend loctype view @ legend 0.78, 0.8 @ legend length 2 @ s0 legend "Protein-PW" # LYS0 MET1 LYS2 ALA3 VAL4 MET5 ILE6 GLY7 ALA8 CYS9 PHE10 LEU11 ILE12 ASP013 PHE14 MET15 PHE16 PHE17 GLU18 0.000000e+00 0.252295 0.489787 0.296699 0.901893 0.846085 1.00394 1.20115 1.32045 1.34214 1.16075 0.468274 0.90487 0.926935 0.693991 0.408579 0.48445 0.606796 0.448753 0.297866 1.000000e+03 0.358956 0.603399 0.360219 0.984117 1.07527 1.07076 0.901102 1.42165 1.37898 1.03344 0.709703 0.892115 0.812352 0.512941 0.420416 0.485689 0.381185 0.345087 0.332904 2.000000e+03 0.23063 0.594551 0.20488 0.814836 1.02883 0.935671 0.8771 1.36768 1.43979 1.15278 0.940027 0.727524 0.874252 0.842193 0.473871 0.494261 0.391063 0.411869 0.276436 3.000000e+03 0.191139 0.641983 0.237531 0.887772 1.07526 1.1507 1.16482 1.50501 1.5329 1.43632 0.921907 0.9675 0.898593 0.880432 0.585431 0.492095 0.45773 0.354645 0.263253 4.000000e+03 0.242464 0.442633 0.229349 0.830355 0.922984 0.974745 1.187 1.40574 1.30776 1.26572 1.08398 0.816839 0.542525 0.857576 0.766172 0.459045 0.533004 0.490228 0.304549 5.000000e+03 0.202938 0.436685 0.468544 0.874072 0.858763 0.873151 1.39306 1.43928 1.54062 1.35596 0.957136 1.09132 0.950809 0.892478 0.494984 0.492853 0.370962 0.364825 0.240479 6.000000e+03 0.305485 0.45505 0.244209 0.793371 0.916569 0.652433 0.988032 1.3381 1.39459 1.276 1.23633 1.16817 0.820506 0.954573 0.831311 0.420011 0.494484 0.489646 0.336299 7.000000e+03 0.262831 0.401032 0.348541 0.846171 0.866963 0.980659 0.974387 1.38566 1.47517 1.38841 0.967569 1.0295 0.923585 0.94594 0.683861 0.514037 0.513347 0.475659 0.314964 8.000000e+03 0.281187 0.55904 0.240354 0.436614 0.742179 0.832001 0.58278 0.949681 1.17885 1.24286 0.866119 1.00621 0.95319 0.936466 0.509531 0.480384 0.365494 0.459502 0.217255 9.000000e+03 0.234653 0.410995 0.253553 0.368697 0.505155 0.764342 0.85623 0.92202 1.13056 1.30965 0.836873 0.968708 0.941006 0.766687 0.488381 0.484559 0.477756 0.389543 0.310393 1.000000e+04 0.242977 0.378769 0.453488 0.457474 0.594887 0.887739 0.885258 1.07598 1.30804 1.35732 1.21498 1.01636 0.980994 0.86478 0.578893 0.467723 0.413285 0.415425 0.189019 1.100000e+04 0.254822 0.385961 0.214564 0.420603 0.63677 0.840087 0.924079 1.04604 1.2392 1.21569 0.631368 1.05062 0.899948 0.479085 0.558553 0.47936 0.398568 0.382202 0.328058 1.200000e+04 0.281887 0.372861 0.196848 0.437012 0.630309 0.868263 0.938693 1.04152 1.23654 1.31651 1.17273 0.977409 0.901187 0.515554 0.654948 0.401873 0.430958 0.373295 0.3864 1.300000e+04 0.277651 0.389801 0.494075 0.510229 0.574677 0.790123 0.995578 1.02941 1.19571 0.946071 1.02154 1.00518 0.746452 0.476692 0.736008 0.479577 0.421857 0.471432 0.282977 1.400000e+04 0.237202 0.498727 0.368035 0.793479 0.440497 0.859421 1.12321 1.1773 1.23037 1.4372 0.823405 1.04132 0.939367 0.870095 0.774929 0.52357 0.471276 0.492814 0.237865 1.500000e+04 0.301146 0.622892 0.232418 0.998894 1.0696 1.12282 1.12338 1.59082 1.63896 1.21454 0.966688 1.26173 0.954243 0.852354 0.808402 0.742655 0.383094 0.390521 0.217979 1.600000e+04 0.23119 0.737597 0.225444 1.10297 1.20387 1.13806 1.25181 1.57133 1.46692 1.26728 0.70183 0.961762 0.965454 0.827602 0.53932 0.517715 0.579949 0.407493 0.313736 1.700000e+04 0.255329 0.759377 0.315615 1.05238 1.2404 1.27647 1.11429 1.57479 1.49879 1.38069 0.924602 0.966317 0.863329 0.80898 0.532598 0.516787 0.479851 0.358177 0.287313 1.800000e+04 0.211209 0.450849 0.20413 0.516482 0.692982 0.801509 0.875765 1.03237 1.27635 1.15926 0.895574 0.670076 0.883448 0.514235 0.693249 0.509922 0.413199 0.42016 0.318142 1.900000e+04 0.245025 0.535188 0.257101 0.806803 0.928514 0.891873 0.988025 1.30646 1.38364 1.26001 0.786541 0.854015 0.917905 0.439549 0.408799 0.411225 0.502923 0.337251 0.241624 2.000000e+04 0.217686 0.389858 0.330677 0.805336 0.765488 0.970597 0.929769 1.28641 1.33669 1.35423 0.850674 0.902995 0.699556 0.923938 0.484043 0.480513 0.569049 0.463734 0.249267 2.100000e+04 0.266972 0.491343 0.226139 0.503387 0.43337 0.730724 0.824339 0.946577 1.06305 1.23335 0.647593 0.890998 0.928427 0.705641 0.515525 0.490368 0.433777 0.328878 0.245402 2.200000e+04 0.199514 0.458077 0.255274 0.650651 0.757095 0.941854 1.09929 1.29801 1.32001 1.16955 0.677048 0.699328 0.891435 0.73083 0.380222 0.488503 0.485165 0.402669 0.304875 2.300000e+04 0.238317 0.358405 0.289221 0.466744 0.462785 0.738106 0.923655 0.942926 1.08681 1.33659 1.04757 0.817152 0.835116 0.858463 0.597111 0.391013 0.401447 0.37878 0.300388 2.400000e+04 0.232112 0.46126 0.214224 0.668716 0.864015 1.02401 0.844188 1.31306 1.49489 1.30949 0.84384 1.05694 0.966986 0.823399 0.489364 0.519028 0.544031 0.463955 0.26342 2.500000e+04 0.236239 0.431134 0.230207 0.668713 0.496872 0.777634 1.07032 1.07361 1.02592 1.24318 1.03386 0.87538 0.800716 0.825458 0.480955 0.438331 0.489675 0.416228 0.245565 2.600000e+04 0.226022 0.531396 0.206642 0.714343 0.890685 0.87616 1.00433 1.27757 1.42314 0.925448 1.01592 1.12111 0.849915 0.533907 0.766064 0.497297 0.397594 0.40737 0.258819 2.700000e+04 0.26288 0.417882 0.268516 0.465941 0.456891 0.792856 0.91937 0.929306 1.11939 1.32069 1.1174 1.01651 0.869663 0.805336 0.632598 0.338897 0.375056 0.431698 0.324402 2.800000e+04 0.365494 0.478875 0.223871 0.524949 0.757454 0.787071 0.920033 1.16287 1.34445 1.11311 0.985711 1.21962 0.941593 0.555102 0.84229 0.728139 0.435066 0.419088 0.250074 2.900000e+04 0.299777 0.477387 0.443123 0.841556 0.969091 1.04578 1.10954 1.40149 1.43674 1.35303 1.16867 1.09325 0.854883 0.682688 0.80606 0.507548 0.452205 0.412537 0.253176 3.000000e+04 0.348977 0.381581 0.331352 0.774058 0.76412 0.718992 0.822686 1.26228 1.34972 1.28588 0.778111 1.0728 0.833562 0.887246 0.38557 0.530832 0.443716 0.515062 0.221147 3.100000e+04 0.263167 0.655532 0.294248 0.937437 0.770562 0.839248 1.16241 1.33581 1.39457 1.27094 1.02529 1.01224 0.998347 0.743582 0.516055 0.420533 0.468984 0.483579 0.273339 3.200000e+04 0.259617 0.446861 0.568729 0.983141 0.927933 0.648969 1.11801 1.31669 1.2867 1.18771 1.23768 0.988491 0.917886 0.761927 0.631896 0.430034 0.417787 0.38066 0.282441 3.300000e+04 0.206478 0.418431 0.375789 0.91661 0.981649 0.618852 1.25343 1.36385 1.26588 1.30906 1.14679 0.953496 0.974649 0.942415 0.619968 0.493482 0.465384 0.366483 0.310635 3.400000e+04 0.252051 0.425917 0.594501 0.827396 0.962312 0.919873 1.33484 1.43966 1.2483 1.20563 1.11212 0.827172 0.52301 0.795221 0.555021 0.408447 0.483158 0.407535 0.304685 3.500000e+04 0.251105 0.726866 0.24207 0.841839 1.06403 1.02295 1.17284 1.43548 1.42923 1.23235 1.20191 0.932121 0.857386 0.812139 0.450512 0.438932 0.371572 0.559644 0.312935 3.600000e+04 0.257806 0.390402 0.396025 0.408683 0.447627 0.72916 0.873424 0.904463 1.02756 0.988205 1.20288 1.05529 0.930774 0.465554 0.858702 0.511697 0.459221 0.404449 0.271273 3.700000e+04 0.200042 0.400562 0.237895 0.444607 0.43896 0.794216 0.852446 0.937576 1.11432 1.35394 0.994176 1.27312 1.01017 0.963031 0.804497 0.749915 0.496252 0.401951 0.200052 3.800000e+04 0.285513 0.433056 0.531312 0.496557 0.61155 0.761879 0.986493 1.02719 1.22299 1.34596 1.11623 0.969363 0.665289 0.889218 0.700601 0.470292 0.517418 0.473225 0.271181 3.900000e+04 0.274616 0.419949 0.206591 0.701585 0.741689 0.497074 0.898056 1.12178 1.2369 1.18658 1.12521 0.959715 0.820335 0.429662 0.508331 0.496074 0.39272 0.377486 0.25854 4.000000e+04 0.246205 0.478055 0.198585 0.826027 0.80096 0.505265 0.770336 1.21314 1.25398 0.938248 1.05126 0.783996 0.909766 0.550757 0.476186 0.523947 0.444769 0.412073 0.207584 4.100000e+04 0.231037 0.699508 0.21221 0.927823 0.920748 1.2495 1.2958 1.40425 1.19791 1.26008 1.05616 0.949306 0.761919 0.854843 0.430438 0.383548 0.431519 0.422001 0.345423 4.200000e+04 0.225479 0.36436 0.259023 0.651139 0.738123 0.443277 0.976605 1.16333 1.19911 1.12619 0.983641 0.859869 0.488588 0.75039 0.506249 0.416817 0.419388 0.458433 0.249443 4.300000e+04 0.271185 0.458253 0.261265 0.815234 0.913794 0.953738 1.03747 1.38336 1.39834 1.28146 0.776818 0.942411 0.907011 0.702345 0.516223 0.568892 0.458017 0.416848 0.305771 4.400000e+04 0.233902 0.615539 0.378747 0.700699 0.980657 1.0768 0.938796 1.32307 1.32329 1.10054 0.625579 0.879803 0.805735 0.517355 0.3636 0.461174 0.348576 0.392674 0.28013 4.500000e+04 0.203855 0.689595 0.547037 1.0732 1.17639 1.23569 1.16012 1.55353 1.47929 1.36968 0.979662 0.966563 0.741821 0.833331 0.450938 0.480738 0.508039 0.45746 0.257701 4.600000e+04 0.210443 0.505301 0.197231 0.684727 0.91213 1.00235 0.734984 1.27873 1.20766 1.17598 1.02164 0.806257 0.749679 0.838874 0.542253 0.337308 0.395244 0.432368 0.277079 4.700000e+04 0.243754 0.425382 0.27059 0.603358 0.818433 0.487619 0.736838 1.05291 1.13072 1.07826 0.798764 0.43734 0.773542 0.807719 0.41735 0.416178 0.466539 0.475106 0.335371 4.800000e+04 0.395451 0.50031 0.236174 0.776756 0.908177 0.922671 0.931529 1.33607 1.408 1.24222 1.22764 0.930908 0.738694 0.523257 0.712576 0.499994 0.437155 0.445112 0.26519 4.900000e+04 0.230385 0.452693 0.368034 0.870858 0.814145 0.950033 1.18723 1.31315 1.35426 0.999309 1.2003 1.21053 0.991845 0.515182 0.798131 0.521137 0.508686 0.48225 0.257876 5.000000e+04 0.225231 0.490473 0.202801 0.886832 0.911124 0.52259 1.01508 1.28414 1.32076 1.39622 0.952242 1.04516 0.860238 0.82241 0.538017 0.360455 0.471633 0.389438 0.219879 5.100000e+04 0.224858 0.797257 0.221237 1.00031 1.18788 1.14974 1.0468 1.53833 1.3974 1.35561 1.11551 0.950086 0.872551 0.922417 0.467136 0.491987 0.406512 0.456885 0.335625 5.200000e+04 0.322263 0.586015 0.297 0.908036 0.856712 0.826246 1.26752 1.29266 1.48631 0.968998 0.92599 1.06676 0.908711 0.504374 0.538525 0.384752 0.451364 0.434633 0.236768 5.300000e+04 0.213366 0.452546 0.320089 0.903027 0.847614 0.904014 1.00742 1.36124 1.36829 1.01604 0.649037 1.15266 0.952792 0.477061 0.729135 0.481133 0.459435 0.429775 0.248306 5.400000e+04 0.25489 0.421335 0.266513 0.798425 0.626081 0.797271 1.13028 1.14411 1.29487 1.32521 1.03543 1.25672 1.02406 0.972441 0.812196 0.507947 0.405963 0.402416 0.215476 5.500000e+04 0.214236 0.727325 0.218687 0.883956 0.917456 1.16984 1.28014 1.31267 1.48097 1.38395 1.01051 1.03574 0.863429 0.837986 0.521122 0.523588 0.43613 0.423988 0.33354 5.600000e+04 0.235773 0.675244 0.501319 1.13583 1.07276 1.09964 1.30311 1.39145 1.41274 1.26163 0.735625 0.952409 1.01468 0.870879 0.399911 0.492184 0.370813 0.425597 0.211215 5.700000e+04 0.19463 0.480585 0.275363 0.893101 0.985408 0.862771 1.10095 1.4483 1.42769 1.32602 0.710518 0.885395 0.898044 0.795079 0.486241 0.481295 0.439711 0.504347 0.226956 5.800000e+04 0.206034 0.472874 0.224308 0.823738 0.909539 0.603982 0.929926 1.28661 1.32511 1.02133 0.660174 0.961065 0.915531 0.774682 0.495511 0.484854 0.479142 0.457061 0.205375 5.900000e+04 0.225551 0.491985 0.194743 0.903007 0.836465 0.924787 1.06275 1.33381 1.39712 1.27511 0.934262 0.843491 0.917543 0.739132 0.456623 0.471918 0.571977 0.427311 0.347708 6.000000e+04 0.216458 0.501018 0.332904 0.834044 0.861731 0.921391 1.10189 1.34096 1.32481 1.17837 0.51508 0.874631 0.892816 0.731676 0.378073 0.504167 0.430029 0.443226 0.255229 6.100000e+04 0.21723 0.534756 0.285416 0.87917 1.00059 0.965511 1.13156 1.29459 1.52375 1.22331 1.02513 1.11264 1.02957 0.851439 0.913795 0.53822 0.529637 0.47328 0.329318 6.200000e+04 0.331811 0.659413 0.367169 0.94438 1.13353 1.21792 1.10382 1.41476 1.39697 1.23683 0.960238 0.871918 0.900436 0.72578 0.399424 0.44021 0.627472 0.376524 0.287347 6.300000e+04 0.218131 0.370677 0.301166 0.808491 0.828816 0.746472 1.13783 1.31062 1.35028 1.14528 1.07666 0.974789 0.952292 0.638137 0.496358 0.514797 0.498225 0.466873 0.41999 6.400000e+04 0.214166 0.520831 0.305144 0.889425 0.983425 0.912231 1.22635 1.36304 1.52907 1.4826 1.46436 1.19284 1.02718 0.992216 0.471841 0.51079 0.774972 0.489787 0.20143 6.500000e+04 0.212365 0.477271 0.276456 0.926495 0.859929 0.850794 1.24425 1.43591 1.47852 1.1578 1.2868 1.09043 0.940341 0.57178 0.514947 0.455248 0.407982 0.398515 0.279059 6.600000e+04 0.263602 0.499261 0.299748 0.568838 0.793451 0.896967 0.975232 1.07354 1.33721 1.3173 1.11877 1.01839 0.975826 0.757159 0.49548 0.504101 0.461953 0.383221 0.274993 6.700000e+04 0.23705 0.336835 0.212342 0.46551 0.482189 0.81996 0.859086 1.03781 1.20539 1.37679 1.15444 1.00264 0.908038 0.784681 0.506551 0.477449 0.493051 0.432807 0.255253 6.800000e+04 0.236402 0.41864 0.351694 0.48421 0.666263 0.903693 0.903691 1.03175 1.26164 1.3051 0.796519 0.887383 0.910199 0.76379 0.485129 0.402681 0.449579 0.36511 0.238357 6.900000e+04 0.219363 0.684475 0.216132 0.861367 1.02037 1.13819 1.12449 1.21238 1.41851 1.28668 1.00356 0.889235 0.851686 0.736161 0.442613 0.425009 0.489903 0.429196 0.233559 7.000000e+04 0.25401 0.402902 0.235991 0.893373 0.876234 0.776119 1.09338 1.35992 1.44338 1.3446 1.23091 1.00508 0.921089 0.895688 0.520034 0.40236 0.480676 0.375758 0.313787 7.100000e+04 0.245514 0.432835 0.243249 0.62993 0.791436 0.90172 1.09754 1.20543 1.38463 1.21767 1.2488 0.978553 0.933965 0.738752 0.45957 0.483142 0.506231 0.417455 0.261521 7.200000e+04 0.275632 0.707789 0.35227 0.934369 1.16127 1.19101 1.16878 1.3799 1.47865 1.03441 1.20121 0.945867 0.903027 0.539047 0.462711 0.476414 0.412859 0.421414 0.203281 7.300000e+04 0.231538 0.71611 0.282312 0.977501 1.14097 0.914631 1.03984 1.37791 1.34625 1.29058 1.24302 0.967364 0.865781 0.864502 0.470713 0.422423 0.487309 0.535594 0.238738 7.400000e+04 0.229735 0.527255 0.354211 0.71263 0.875222 0.953405 1.13474 1.35944 1.44659 1.32895 0.975802 1.03593 0.941939 0.84458 0.438883 0.487518 0.451011 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