Dear gromacs users, I am trying to port a set of charm parameter in gromacs.
I am using the script convert_charmm_to_gromacs.pl contained in the file charmm_to_gromacs.tgz ( http://www.gromacs.org/@api/deki/files/76/=charmm_to_gromacs.tgz). Regarding dihedrals, the entry regarding the file says that pdb2gmx cannot "generate multiple periodic dihedral functions such as CHARMM uses for some dihedrals - these must be converted to Ryckaert-Bellemans functions, i.e. expressed as a cosine power expansion" This assumption is no longer valid, is it? As far as I know, infact, now gromacs support multiple periodic function (funtion 9), is it? Francesco
-- 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