Just out of curiosity -why can you only choose between GROMOS force fields?
2013/11/5 pratibha kapoor <kapoorpratib...@gmail.com> > Dear all > > I would like to carry out unfolding simulations of my dimeric protein and > would like to know which is the better force field to work with out of > gromos 96 43 or 53? Also, is gromos 96 43a1 force field redundant? > When I searched the previous archive, I could see similar question was > raised for gromos 96 43a3 ff and could make out that 53a6 53a7..have > entirely different approach in parameterization compared to 43a3 ff. Also > 43a3 would give more stable structures. > So is the case with my simulations but with force field 43a1 (instead of > 43a3). I could see an extra non native helix when I carried out simulations > with ff 43a1 which is not present with 53a7 ff. I have no experimental > data/re-sources to confirm this. Also simulations on my system has not been > done before. > I would like to know which out of the two simulations should I consider > more reliable-43a1 or 53a7? > Thanks in advance. > -- > 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