[gmx-users] NVT, NPT and then pulling?

[Steven Neumann]

Dear Gmx Users,

I am wondering whether would you advise to run NVT, NPT (position
restrained) and before the pulling simulation e.g of the ligand from
protein-ligand complex? As I saw in Justin tutorial he equilibrate the
system with only NPT ensemble before pulling. Is that really sufficent
e.g. for 200 ps?

Thanks,

Steven