[gmx-users] mdrun failure

 Hi dear gmx-usersI am simulating gold surface- protein interaction by GOLP-CHARMM forcefield. after 30 ps equilibration, I started mdrun with some freeze atoms in gold surface and NVT ensemble in temp=300 k, but when mdrun starts, temperature reaches to 5.50769e+05. md.mdp file containe: title 

[gmx-users] mdrun failure

Hi dear gmx-users Iwant to simulate gold surface - protein interaction by GOLP-CHARMM forcefield.In md step, after 7 ps , without any reason mdrun failed. md.mdp contains:  title                   = gold cpp                     =cpp include                 =   ;RUN CONTROL PARAMETERS