RE: [gmx-users] The difference about NPT and NVT ensemble.

> I have some questions about ensemble. Would you please tell me about NPT or > NVT ensemble? What difference about them? http://wiki.gromacs.org/index.php/Molecular_Dynamics_Simulations Catch ya, Dr Dallas Warren Pharmacy and Pharmaceutical Sciences Monash University A polar bear is a Cartes

Re: [gmx-users] The difference about NPT and NVT ensemble.

fufengliu wrote: Hello, everyone, I have some questions about ensemble. Would you please tell me about NPT or NVT ensemble? What difference about them? And how to define in the molecular dynamics mdp file? What ensemble does the below parameters extracted from my mdp file? NPT = constan

[gmx-users] The difference about NPT and NVT ensemble.

Hello, everyone, I have some questions about ensemble. Would you please tell me about NPT or NVT ensemble? What difference about them? And how to define in the molecular dynamics mdp file? What ensemble does the below parameters extracted from my mdp file? ; Berendsen temperature coupling is