[gmx-users] Adsorption layer of water molecules

I'm working with a protein in water and I used periodic boundary conditions in three dimension. At first the initial system was minimized, then I followed Justin's protocol. The system was equilibrated in a first stage nvt for 1 ns and in a second stage npt for 1 ns (with restraints). Then the

Re: [gmx-users] Adsorption layer of water molecules

On 2/6/13 11:56 AM, Yara Alves wrote: I'm working with a protein in water and I used periodic boundary conditions in three dimension. At first the initial system was minimized, then I followed Justin's protocol. The system was equilibrated in a first stage nvt for 1 ns and in a second stage