Hi all, Many questions about how to choose a force field are addressed to this list, sorry if this one was already answered.
Some argue that proteins are better modeled with ff99sb-ildn or charmm22* because occur great agreement between NMR experiments and simulations when using these force fields. But what about organic heteromolecules? One could say that organic molecules are similar enough to amino acid side chains concluding that protein force fields are adequate to model these molecules, but I'm not sure. What ff would best describe a small ligand bound to protein? What do you think? abraços, Pedro Lacerda -- 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
