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

Teemu Murtola-3 wrote Hi, On Thu, Apr 4, 2013 at 10:01 PM, Oleksandr Sushko lt; o.sushko@.ac gt;wrote: I'm want to analyse stratified layers of water around protein, so I provide next selection file to g_select: [clip] (shell2 is supposed to be a layer of whole water molecules

[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 on distance criteria. The output index file

[gmx-users] g_select: selection file problem

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 * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe

[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