Re: [gmx-users] Need protein-ligand free energy calculation tutorial

2013-09-19 Thread Sergey Filkin
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 2013/9

[gmx-users] Need protein-ligand free energy calculation tutorial

2013-09-18 Thread Naga Sundar
Dear Gromacs users -- Iam trying to perform free energy calculation for protein-ligand complex. --Can any one plz suggess an appropriate tutorial to be follow to perform this analysis -- Thanks & Regards N.NagaSundaram -- gmx-users mailing listgmx-users@gromacs.org http