Dear users, Any suggestions?
Thank you M. Kavyashree On Thu, Jun 23, 2011 at 10:38 AM, Kavyashree M <[email protected]> wrote: > 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 >
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