Hi, Steven, http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html
and there is one paper"Good Practices in Free-Energy Calculations J. Phys. Chem. B, 2010, 114 (32), pp 10235–10253" Hope this data could help you! maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/FEP-of-ion-binding-protein-tp5008557p5008559.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
