Re: [gmx-users] hybrid solvent model

I'm also interested in doing this with GROMACS but couldn't find a way yet. In my case I'm interested in applying it to REMD simulations in which large conformational changes occur, which makes the implementation more difficult because the shape of the water layer would be irregular and change

[gmx-users] hybrid solvent model

Hi all. I want to create a system with hybrid solvent (explicit/implicit). My system is large enough to calculate it with explicit SOL. But it is critical to study the behavior of several water molecules in the site. The idea is to generate a layer of explicit water molecules around the protein mo