I am using the Gromacs 4.5.3........is that feature is present in this version......
On Mon, Jun 13, 2011 at 21:39, Erik Marklund <[email protected]> wrote: > Hi, > > The problem is that g_hbond subtracts a "background level" to compensate for > the finite size of the system. I thought that feature had been taken away, > however. Are you using old code? > > Erik > > 12 jun 2011 kl. 19.33 skrev bipin singh: > >> Hello, >> >> I am calculating the H-bond autocorrelation using g_hbond for my >> system, but after plotting >> I have observed that the value for c(t) is reaching to negative, as >> far as I know it can not be >> negative as the probability can not be negative.......please suggest >> where is the problem...... >> >> -- >> ----------------------- >> Thanks and Regards, >> Bipin Singh >> -- >> gmx-users mailing list [email protected] >> 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 [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > ----------------------------------------------- > Erik Marklund, PhD student > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: +46 18 471 4537 fax: +46 18 511 755 > [email protected] > http://www2.icm.uu.se/molbio/elflab/index.html > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ----------------------- Regards, Bipin Singh -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
