thanks Justin for your previous mail, now this time when i run energy minimization with the following command ./grompp_d -f em.mdp -c 1HHO_sol.gro -p 1HHO.top -o 1HHO_em.tpr i got output like this NOTE 2 The optimal PME mesh load for parallel simulations is below 0.5 and for highly parallel simulations between 0.25 and 0.33, for higher performance, increase the cut-off and the PME grid spacing This run will generate roughly 0 Mb of data can i continue next step ?
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