You don't. CGenFF is a forcefield, like CHARMM36. You install it, add rtp entries then use pdb2gmx to generate a ligand's topology .itp file....
On 2012-12-26 11:35:46AM +0100, Albert wrote: > hello: > > I found the script charmm2gromacs-pvm.py > <http://www.gromacs.org/@api/deki/files/185/=charmm2gromacs-pvm.py> > which claimed could convert the output from CGenFF into Gromacs format. > However, I tried many times and it always failed even with the advices > from previous thread. This script is trying to generate something like > what we see in a complete forcefiled folder instead of a single .itp > file for ligand. > > I am just wondering, how can we convert the output from CGenFF into a > single .itp file which is similar to the one from Swissparam? > > thank you very much > best > Albert > -- > 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