[gmx-users] Conceptual question: Why are MD production simulations usually run in the NVT ensemble?

2012-07-14 Thread Andrew DeYoung
Hi, I'm not sure if this is an appropriate question for the Gromacs users' mailing list. If it isn't, please forgive me and disregard this message. I asked this question on Physics Stack Exchange: Why is the canonical (NVT) ensemble often used for molecular dynamics (MD) simulations? My

Re: [gmx-users] Conceptual question: Why are MD production simulations usually run in the NVT ensemble?

2012-07-14 Thread Justin A. Lemkul
On 7/14/12 11:06 AM, Andrew DeYoung wrote: Hi, I'm not sure if this is an appropriate question for the Gromacs users' mailing list. If it isn't, please forgive me and disregard this message. I asked this question on Physics Stack Exchange: Why is the canonical (NVT) ensemble often used for