Molecular　dynamics　simulation　method　was　used　to　study　the　complex　structure　of　HIV-1　integrase　and　its　inhibitor　aurintricarboxylic　acid　(Aurin).　The　HIV-1　integrase　core　domain　(IN-A)　with　a　Mg2+　and　inhibitor　Aurin　molecule　are　docked　as　a　complex　with　the　program　Autodock.　A　950　ps　molecular　dynamics　simulation　was　carried　out　on　the　complex　system.　The　simulation　shows　the　stability　of　the　complex.　It　was　found　that　there　are　two　stable　hydrogen　bonds　between　IN-A　and　Aurin　in　the　predicted　complex　structure.　The　Mg2+　is　also　chelated　with　an　oxygen　atom　of　Aurin.　The　mean　electrostatic　interaction　and　the　mean　van　der　Waals　interaction　between　IN-A　and　Aurin　are　-205.8　and　-162.7　kJ/mol,　respectively.　The　result　of　our　simulation　and　the　predicted　complex　structure　will　be　useful　in　designing　anti　HIV-1　integrase　inhibitor.