Hello George, What do you mean by "best"? It really depends on the force-field that you are using/intend to use.
Best, João On Fri, Apr 26, 2013 at 4:00 PM, George Patargias <g...@bioacademy.gr>wrote: > Hello > > Doe anybody know what is the "best" (the most suitable) set of parameters > to use for ATP/Mg+2 ? > > I have seen from the literature that people have used mainly either the > CHARMM27 parameters or the ones in > > Meagher KL, Redman LT, Carlson HA (2003) Development of polyphosphate > parameters for use with the AMBER force field. J Comput Chem 24:1016 > > I would appreciate if you can give me any hints on this. > > Thanks. > > > Dr. George Patargias > Postdoctoral Researcher > Biomedical Research Foundation > Academy of Athens > 4, Soranou Ephessiou > 115 27 > Athens > Greece > > Office: +302106597568 > > -- > 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 > -- João M. Damas PhD Student Protein Modelling Group ITQB-UNL, Oeiras, Portugal Tel:+351-214469613 -- 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
