There are some starter files here: http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_free_energy_calculations%3a_Michael_Shirts%2c_Session_2A
Which can be used in conjunction with the Alchemistry.org instructions. But it needs to be updated a bit more . . . On Thu, Sep 19, 2013 at 3:38 AM, hsp85 <sfil...@gmail.com> wrote: > Actually, > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/ > there are two different manuals - one about free energy calculation and > other about protein ligand complexes. > > This page is also can be helpfull > http://www.alchemistry.org/wiki/Category:Free_Energy_How-to%27s > > Sergey Filkin > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/Need-protein-ligand-free-energy-calculation-tutorial-tp5011299p5011302.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 -- 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
