# Gaussian Accelerated Molecular Dynamics log file # All energy terms stored in units of kcal/mol # ntwx,total_nstep,Unboosted-Potential-Energy, Unboosted-Dihedral-Energy,Total-Force-Weight,Dihedral-Force-Weight,Boost-Energy-Potential,Boost-Energy-Dihedral 50 200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 50 250 -90353.957370162709 3065.087247808464 0.956495948897 0.845586836461 3.112745252370 1.808559793717 50 300 -90264.238542831270 3074.417670589872 0.974653056026 0.876302493430 1.155759367639 1.276425079833 50 350 -90182.184860014124 3072.638324412517 0.979754377297 0.779698549706 0.475515667498 2.469270035090 50 400 -90180.021284775576 3092.552483547479 0.969500756429 0.953536067776 1.327331113199 0.112360131016 50 450 -89979.277260608738 3082.387625887990 1.000000000000 0.855881853223 0.000000000000 1.080979983763 50 500 -90228.188330511330 3089.995203260332 0.801982386370 0.928968168628 13.371839887457 0.262594931049 50 550 -90077.826313206693 3096.486537771299 1.000000000000 0.991330691972 0.000000000000 0.003911552672 50 600 -89906.981680731056 3113.969877384603 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 650 -90030.169776654569 3087.384454971179 1.000000000000 0.903886600138 0.000000000000 0.480781994290 50 700 -90029.610352302669 3081.937155888416 1.000000000000 0.851554169013 0.000000000000 1.146875631232 50 750 -90080.491853743559 3109.523562203161 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 800 -89902.377673899522 3103.062071782537 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 850 -90121.788451263448 3069.654112770222 0.963015932726 0.733550457774 0.466458341493 3.694964510590 50 900 -90153.821137644118 3078.733411935158 0.913083961597 0.820775666267 2.576222502018 1.671761285675 50 950 -90024.999838607153 3095.119619601406 1.000000000000 0.978198651690 0.000000000000 0.024736999571 50 1000 -90059.531383316731 3099.104055682197 1.000000000000 1.000000000000 0.000000000000 0.000000000000 ............ 50 4999050 -89283.246980880154 3093.699283317663 1.000000000000 0.964553421345 0.000000000000 0.065392653490 50 4999100 -88982.910002052551 3103.185920914635 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999150 -89236.130209702766 3096.317488449626 1.000000000000 0.989706628037 0.000000000000 0.005514366767 50 4999200 -89262.442056420026 3101.790647664107 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999250 -89089.900789095787 3103.388489059173 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999300 -89147.641310798703 3118.586828921922 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999350 -89215.427789494162 3109.410957843997 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999400 -89181.677429279080 3111.324468641542 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999450 -89192.032724795630 3103.079302972183 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999500 -89083.137388524367 3128.507546425797 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999550 -89037.308383591240 3076.611716561951 1.000000000000 0.800392449685 0.000000000000 2.073644213479 50 4999600 -89027.915623286506 3097.105398619547 1.000000000000 0.997276114139 0.000000000000 0.000386151855 50 4999650 -89166.182527750498 3088.620779001154 1.000000000000 0.915764017032 0.000000000000 0.369296856398 50 4999700 -88908.993672325974 3130.434611676261 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999750 -89112.374448036542 3106.165733215399 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999800 -89191.454879415920 3122.408554925583 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999850 -89151.641963694012 3096.978763643652 1.000000000000 0.996059526605 0.000000000000 0.000808122342 50 4999900 -89045.607659997186 3106.913654022850 1.000000000000 1.000000000000 0.000000000000 0.000000000000 50 4999950 -89152.768824208295 3078.449341081083 1.000000000000 0.818046585638 0.000000000000 1.723061321362 50 5000000 -89187.461469841888 3096.399732092395 1.000000000000 0.990496746168 0.000000000000 0.004700293457