[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 som

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

Justin Lemkul wrote > 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

[gmx-users] g_select: selection file problem

, which I want to avoid, that's why I'm using 'same residue as') Does anybody have a clue of what can be the reason, I run out of ideas. thanks in advance, Oleksandr Sushko -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users

[gmx-users] Re: g_select: selection file problem

Teemu Murtola-3 wrote > Hi, > > On Thu, Apr 4, 2013 at 10:01 PM, Oleksandr Sushko > < > o.sushko@.ac > >wrote: > >> I'm want to analyse stratified layers of water around protein, >> so I provide next selection file to g_select: > > [clip] &