Dear Justin: Thank you so much for your quick response.
But I still don't get it. Should I calculate the standard error manually by using the equations A17 (in B. Hess' s paper) after I get the result by g_analyze. And then which value I should use for the sigma? Here is the output : invalid fit: e.e. 15.6513 a 2.17585 tau1 28.9321 tau2 46.3966 Will use a single exponential fit for set 1 Set 1: err.est. 21.0339 a 1 tau1 15.1648 tau2 0 I really appreciate your patience and help! On Fri, Nov 20, 2009 at 3:07 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Yanmei Song wrote: > >> 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! >> >> > The relationship is not a simple inversion as you've shown it. That is, > (standard error of 1/eta) != 1/(standard error of eta). The standard error > calculation depends on a number of factors, hence all the math in the > Appendix :) An example is given in Fig. 8 of that paper. > > -Justin > > > -- > ======================================== > > 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
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