Dear Justin: I really appreciate your response and help!
I am confusing about the result by using this method. I found in B. Hess's paper (Appendix, JCP, 116, 2002) that " this gives a standard error estimate for 1/eta of 29.5. "; and the error he gives for that eta is 0.006. I thought the error should be calculated as 1/29.5=0.034. Thank you again for your help! On Fri, Nov 20, 2009 at 12:35 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Yanmei Song wrote: > >> Dear Users: >> >> Anyone knows how to get the standard errors of the results based on block >> averaging from non-equilibrium MD simulations? I am trying to get the error >> estimations for my calculated viscosity of the fluid. Any command can give >> me that? or I have to do it manually? Thank you in advance! >> > > From g_analyze -h: > > "Option -ee produces error estimates using block averaging. A set is > divided > in a number of blocks and averages are calculated for each block. The error > for the total average is calculated from the variance between averages of > the > m blocks B_i as follows..." > > -Justin > > > >> -- >> Yanmei Song >> Ph.D. Candidate >> Department of Chemical Engineering >> Arizona State University >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Yanmei Song Ph.D. Candidate Department of Chemical Engineering Arizona State University
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
