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

2012-07-15 Thread Florian Dommert
-Ursprüngliche Nachricht- Von: gmx-users-boun...@gromacs.org [mailto:gmx-users- boun...@gromacs.org] Im Auftrag von Andrew DeYoung Gesendet: Samstag, 14. Juli 2012 18:56 An: gmx-users@gromacs.org Betreff: [gmx-users] Re: Conceptual question: Why are MD production simulations

[gmx-users] Question about the Gromacs website

2012-07-15 Thread Andrew DeYoung
Hi, I have been not been able to access http://www.gromacs.org/ today. Has anyone else experienced this? I received the following error message on both Google Chrome and Mozilla Firefox: -- Site settings could not be loaded We were unable to locate the API to request site settings. Please see

Re: [gmx-users] Question about the Gromacs website

2012-07-15 Thread Justin Lemkul
On 7/15/12 1:59 PM, Andrew DeYoung wrote: Hi, I have been not been able to access http://www.gromacs.org/ today. Has anyone else experienced this? I received the following error message on both Google Chrome and Mozilla Firefox: -- Site settings could not be loaded We were unable to locate

Re: [gmx-users] Question about the Gromacs website

2012-07-15 Thread Rossen Apostolov
Hi all, The root partition of the server was full. It should be working fine now. Cheers, Rossen On 7/15/12 8:03 PM, Justin Lemkul wrote: On 7/15/12 1:59 PM, Andrew DeYoung wrote: Hi, I have been not been able to access http://www.gromacs.org/ today. Has anyone else experienced this? I

RE: [gmx-users] Question about the Gromacs website

2012-07-15 Thread Stephen P. Molnar
Just accessed it. Stephen P. Molnar, Ph.D.Life is a fuzzy set Foundation for ChemistryStochastic and multivariate www.FoundationForChemistry.com (614)312-7528 (c) Skype: smolnar1 -Original Message- From:

[gmx-users] RE: Question about the Gromacs website

2012-07-15 Thread Andrew DeYoung
Hi, I am able to access the website now. Many thanks to all for your time and effort getting it running! Andrew DeYoung Carnegie Mellon University -Original Message- From: Andrew DeYoung Sent: Sunday, July 15, 2012 2:00 PM To: gmx-users@gromacs.org Subject: Question about the Gromacs

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

2012-07-15 Thread Andrew DeYoung
Hi, Thanks for your time. Based on Justin's and Florian's responses, it seems that the choice of whether to do production simulations in NpT or NVT depends on what you're studying. Does the following seem like a reasonable summary of the discussion: -- In biophysics, lab experiments are almost