gmx distance -oxyz ? Catch ya,
Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. On Fri, 1 May 2020 at 16:23, Alex <alexanderwie...@gmail.com> wrote: > Dear all, > > I like to calculate the conformation tensor for a mass of a short polymer. > The conformation tensor is defined as c_ij = 3* (<Re_i * Re_j> / > <(Re_bulk)^2>), in which Re_i and Re_j are the Cartesian components of the > Re as the end-to-end vector. Several gmx options are available to calculate > the end-to-end distance but not the end-to-end vector. > I wonder if there is a gmx tool to either directly calculate to > conformation tensor or the end-to-end vector to extract the x and y > directions of that vector later on? > > Thank you > Alex > -- > 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.
