Hi, I have a small ligand that apparently PRODRG gets wrong -it completely alters the structure, borks angles etc. making it not what we want. So I used xplo2d to obtain a suitable set of files that I used for docking (with HADDOCK).
Now, it seems to me that xplo2d does not output a Gromos ff -compatible .itp file as PRODRG does. However it produces a CNS .top file, which seems to contain most of the same information ( charges, dihedrals, masses etc.) Is there a way to convert between the two? Thanks, Massimo -- 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
