Hi Maryam, If I am not wrong, VOTCA-CSG (http://www.votca.org) is the package that might help you. It parameterizes course-grained potentials based on structural properties of the system using different approaches including the iterative Boltzman Inversion (iBI). All the GROMACS files can be handled by VOTCA-CSG.
Regards, Salman On Fri, Nov 1, 2019 at 7:31 PM Maryam Sadeghi <maryam.sadeghi...@gmail.com> wrote: > Dear All, > > I was wondering if there are any codes in GROMACS for doing Iterative > Boltzman Inversion to reproduce the target pair distribution functions for > a MARTINI coarse grained structure given by atomistic simulations? > > Best > Maryam > -- > 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.