Re: [gmx-users] Steered molecular dynamics and Parinello-Rahman and bond constraints.

quantrum75 wrote: Hi GMX-users, I am beginning to use the steered molecular dynamics method to perform a potential of mean field calculation. In your experience, does it matter what kind of a thermostat and pressure coupling is used? Does Nose-Hoover and Parinello-Rahman perform better than

[gmx-users] Steered molecular dynamics and Parinello-Rahman and bond constraints.

Hi GMX-users, I am beginning to use the steered molecular dynamics method to perform a potential of mean field calculation. In your experience, does it matter what kind of a thermostat and pressure coupling is used? Does Nose-Hoover and Parinello-Rahman perform better than Berendsen for this pur