Re: [gmx-users] Analysis of protein-ligand interactions

2012-07-29 Thread Justin Lemkul
On 7/29/12 3:30 AM, James Starlight wrote: Dear Gromacs Users! I want to analyze protein-ligand polar interactions by means of g_hbond utility In particular I want to obtain some map wich include information aabout dynamics of the h bonds occurence between defined polar groups of the protein

[gmx-users] Analysis of protein-ligand interactions

2012-07-29 Thread James Starlight
Dear Gromacs Users! I want to analyze protein-ligand polar interactions by means of g_hbond utility In particular I want to obtain some map wich include information aabout dynamics of the h bonds occurence between defined polar groups of the protein ( active site) and ligand polar atoms. For tha