From: NEHİR NALINCI (nehirnalinci_at_iyte.edu.tr)
Date: Tue Dec 05 2017 - 00:42:47 CST
I asked this question in terms of the configuration files. Thank you so much, for your interest.
----- Original Message -----
From: "Vermaas, Joshua" <Joshua.Vermaas_at_nrel.gov>
To: "namd-l" <namd-l_at_ks.uiuc.edu>, "NEHİR NALINCI" <nehirnalinci_at_iyte.edu.tr>
Sent: Monday, December 4, 2017 9:26:59 PM
Subject: Re: namd-l: nvt vs nve file
In terms of the configuration files, they should be nearly identical. One will have a thermostat to keep the temperature level, and the other won't care if it gets to be a bajillion degrees.
-Josh
On 12/04/2017 11:25 AM, Giacomo Fiorin wrote:
On Mon, Dec 4, 2017 at 1:11 PM, NEHİR NALINCI <nehirnalinci_at_iyte.edu.tr<mailto:nehirnalinci_at_iyte.edu.tr>> wrote:
I am trying NAMD tutorial on my own system, according to my data. In order to run a NVT and NVE ensemble with NAMD, I would like to know if someone can tell me about any differences between NVT and NVE configuration files to get me understood. I did not see any difference between these files in the tutorial and I want to know the reason for the difference.
Thank you for interest.
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: Sun Dec 31 2017 - 23:21:48 CST
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Hello,
--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU