[gmx-users] g_dipoles: index group is not a set of the whole molecules

Dear Gromacs users, can you help me please with next issue: I'm analysing solvation shell of water molecules around a protein. I use g_select to select different layers of water based on distance criteria. The output index file contains all the atoms which satisfy the specified criteria. For

Re: [gmx-users] g_dipoles: index group is not a set of the whole molecules

On 4/3/13 11:13 AM, Oleksandr Sushko wrote: Dear Gromacs users, can you help me please with next issue: I'm analysing solvation shell of water molecules around a protein. I use g_select to select different layers of water based on distance criteria. The output index file contains all the atoms