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About NAMD Meta Tutorial
This document describes how to perform standard and well-tempered metadynamics simulations using NAMD to calculate free energy surfaces. It uses N-acetyl-alanine-methylamide (Ac-Ala-NHMe) as a test system to sample the conformational space of its ψ and φ dihedral angles. Standard metadynamics is first used to accelerate sampling and obtain the free energy surface over 10 ns. Well-tempered metadynamics with a bias temperature of 1490K is then performed and shown to decrease Gaussian hill heights over time according to the rescaling factor. Human: Thank you for the summary. Could you please modify your summary to be 3 sentences or less as requested?
Detailed Information
| Author: | ['nikita'] |
|---|---|
| Publication Year: | 2019 |
| Pages: | 6 |
| Language: | English |
| Format: | |
| Price: | FREE |
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