[gmx-users] NPT and NVT ensembles

2011-05-20 Thread ahmet yıldırım
Dear Justin, In the first tutorial You said After we arrive at the correct temperature (based on kinetic energies), we will apply pressure to the system until it reaches the proper density. That is, you apply each NVT and NPT ensembles when you did the position restraints. Would not it only be

Re: [gmx-users] NPT and NVT ensembles

2011-05-20 Thread Justin A. Lemkul
ahmet yıldırım wrote: Dear Justin, In the first tutorial You said After we arrive at the correct temperature (based on kinetic energies), we will apply pressure to the system until it reaches the proper density. That is, you apply each NVT and NPT ensembles when you did the position