On 6/6/17 8:22 AM, Mahboobeh Eslami wrote:
Hi all GMX usersI want to do MD simulation on protein-ligand complex. There are
two calcium ions in the protein structure. These ions play an important role.
In the equilibration step, should I consider protein,ligand and calcium ions
as one single
Hi all GMX usersI want to do MD simulation on protein-ligand complex. There are
two calcium ions in the protein structure. These ions play an important role.
In the equilibration step, should I consider protein,ligand and calcium ions
as one single entity (for tc_grps option)? or should I consi
