Hi Mohsen, So you want to have a topology with all atoms for use in a united atom force field? Seems a bit awkward... PRODRG will only include polar hydrogens, in accordance with the GROMOS force field. It won't be a particular trustworthy topology, though, but you've probably caught the words of caution expressed regularly on this list.
Cheers, Tsjerk On Feb 6, 2011 9:42 AM, "mohsen ramezanpour" <ramezanpour.moh...@gmail.com> wrote: Dear All I want to generate a topology file in 43A1 force field for a small molecule. Of course I want one which contains all hydrogens in that. PRODRG doesn't generate like this.do you know another server with these conditions? Thanks in advance Mohsen -- 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
-- 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