[gmx-users] system far from the equilibration state

[Shima Arasteh]

Hi,

I am simulating a system of peptide/membrane/water. If my system is far from the equilibration, would that be correct if I use Berendsen pressure coupling for nano seconds to do NPT equilibration and then change it to Parrinello-Rahman to get the true pressure? Anybody may suggest me please?


Thanks in advance.
Sincerely,
Shima