Hi Justin, Thanks for the reply. You were spot on about the version difference.
Thanks again. Anthony ________________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: 02 February 2013 18:06 To: Discussion list for GROMACS users Subject: Re: [gmx-users] g_wham missing option On 2/2/13 12:58 PM, Nash, Anthony wrote: > Hi All, > > I am using Gromacs 4.5.5 and running free energy calculations. According to > the article "g_wham - A Free Weighted Histogram......" (J. Chem. Theory. > Comput. 2010, 6, 3713-3720), there is the option -bs-method. However, I am > unable to find this option when running g_wham. I want to use bayesian > bootstraps of complete histograms. > > I have a feeling I am missing something completely obvious. Any help would be > appreciated. > Take a closer look at g_wham -h. The option you're asking about is definitely there. Also be sure you're using the version you think you are; g_wham was overhauled between 4.0.7 and 4.5. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist 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/Support/Mailing_Lists/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/Support/Mailing_Lists -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
