[gmx-users] NPT equilibration without pbc

[Rajorshi Paul]

I am trying to simulate water nano droplet spreading on an FCC crystal
substrate. I have not implemented periodic boundary conditions as my system
is non-periodic. But when I tried to equilibrate my system in NPT ensemble,
the program gives me a warning that I should set pressure coupling as "no".
Is it possible to run NPT equilibration in non-periodic system?

Thanks!

Raj.