Dear users, In one of the simulations while calculating box dimensions using g_energy this output was obtained - Statistics over 50000001 steps [ 0.0000 through 100000.0000 ps ], 3 data sets All statistics are over 1978700 points
Energy Average Err.Est. RMSD Tot-Drift ------------------------------------------------------------------------------- Box-X 0.0453229 1.8 0.637535 -9.93022 (nm) Box-Y 0.0453229 1.8 0.637535 -9.93022 (nm) Box-Z 0.0320482 1.3 0.450805 -7.02173 (nm) but the dimensions of the box is different. plot attached. I am not able to figure out why only 1978700 data point are considered. Kindly give some suggestions. Thank you with regards M.Kavyashree
<<attachment: box-dimen.png>>
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