when i type this order :szrun 2 2 mdrun_mpi -nice 0 -v -s pr.tpr -o pr.trr -c b4md.pdb -g pr.log -e pr.edr & the process can not run,and there is a problem that t = 0.000 ps: Water molecule starting at atom 90777 can not be settled. Check for bad contacts and/or reduce the timestep.Wrote pdb files with previous and current coordinates. i have made the dt =0.001and nsteps=10000 in the em.mdp ,but the order (szrun 2 2 mdrun_mpi -nice 0 -v -s pr.tpr -o pr.trr -c b4md.pdb -g pr.log -e pr.edr & ) still can not run .how to slove this problem ?
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