That depends on your sampled positions which you will give as pull.xvg files. And also there is -bins flag option in gmx wham where you can mention the number of bins if you want to sample more.
On Fri, Jan 10, 2020 at 2:13 PM 변진영 <byunjy0...@gmail.com> wrote: > Each column has 0.1nm binning distance or the other distance length?? > > > > 2020. 1. 10. 오후 5:28, shakira shukoor <shakirashukoor1...@gmail.com> 작성: > > > > The different columns indicates the counts or probability of different > > binning distances or the windows you have considered in the simulation. > > > > On Fri, Jan 10, 2020 at 1:55 PM 변진영 <byunjy0...@gmail.com> wrote: > > > >> Dear All, > >> I have tried to run umbrella sampling with GROMACS. > >> When I tried to analyze the umbrella sampling MD simulation result, I > >> used the module, gmx wham so that I got the result file named > ‘histo.xvg’ . > >> What I wonder is what does columns mean except the 1st. column(I know > the > >> 1st. column is reaction coordinate.) > >> I think that roughly the other columns except the 1st. Columns mean the > >> counts or probability for each reaction coordinate, but I don’t know > what > >> the columns suggested in detail. > >> > >> Do you know what they are???? > >> > >> Thank you > >> -- > >> Gromacs Users mailing list > >> > >> * Please search the archive at > >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > >> posting! > >> > >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >> > >> * For (un)subscribe requests visit > >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > >> send a mail to gmx-users-requ...@gromacs.org. > > > > > > > > -- > > *Best Regards* > > > > Shakkira E > > PhD student INSPIRE Scholar > > Department of Chemistry > > sdmdlab.xyz > > IIT Patna > > Bihta > > Patna 801106 > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- *Best Regards* Shakkira E PhD student INSPIRE Scholar Department of Chemistry sdmdlab.xyz IIT Patna Bihta Patna 801106 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
