Re: nvt vs nve file

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" <>
To: "namd-l" <>, "NEHİR NALINCI" <>
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.

On 12/04/2017 11:25 AM, Giacomo Fiorin wrote:>

On Mon, Dec 4, 2017 at 1:11 PM, NEHİR NALINCI <<>> 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.

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

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