Re: nvt vs nve file

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Mon Dec 04 2017 - 12:26:59 CST

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:
https://www.google.com/search?q=%22introduction+to+modern+statistical+mechanics%22.Vermaas%40nrel.gov%7C242d9ac5a7eb44841b7708d53b446316%7Ca0f29d7e28cd4f5484427885aee7c080%7C0%7C0%7C636480087263860983&sdata=71HnHMvJw1gCp%2FNX6cwM7VGloL8wjSyGxzWFaYFHdzM%3D&reserved=0>

On Mon, Dec 4, 2017 at 1:11 PM, NEHR NALINCI <nehirnalinci_at_iyte.edu.tr<mailto:nehirnalinci_at_iyte.edu.tr>> wrote:
Hello,

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.

--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
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