Re: [gmx-users] Coupling groups in protein-ligand-lipid simulation

On 5/16/12 1:01 AM, Anirban wrote: Hi ALL, I am simulating a membrane protein docked with a ligand and embedded in a lipid bilayer. For COM removal I am using two groups, Prt_Lig_Lipid and SOL_CL. For temperature and pressure couplings should I use these two groups or should I use three

[gmx-users] Coupling groups in protein-ligand-lipid simulation

Hi ALL, I am simulating a membrane protein docked with a ligand and embedded in a lipid bilayer. For COM removal I am using two groups, Prt_Lig_Lipid and SOL_CL. For temperature and pressure couplings should I use these two groups or should I use three groups, Protein, Lipid and Lig_SOL_CL? Any