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| From: | Alexander Afanasyev |
| Subject: | "integrate set nvt" |
| Date: | Mon, 20 Mar 2023 01:53:31 -0400 |
| User-agent: | Mozilla/5.0 (Macintosh; Intel Mac OS X 10.15; rv:102.0) Gecko/20100101 Thunderbird/102.9.0 |
Hi, I am using Espresso 3.3.1. I know this is an old version, but still.What is the ensemble by default (NVE,NVT) if "integrate set nvt" is not stated explicitly in a script, but "thermostat langevin 1.0 1.0" is.
Regards, Alexander
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