Tutorials

Tutorial – Quantum dynamical effects in liquid water: A semiclassical study on the diffusion constant and the infrared absorption spectrum

Oct 4, 2015

This tutorial will show you how to reproduce the work discussed in the following paper: Jian Liu, William H. Miller, Francesco Paesani, Wei Zhang and David A. Case. J. Chem. Phys. 131, 164509 (2009) ... (read more)

Tutorial for CPU & GPU– The unified "middle" thermostat scheme in AMBER for efficient configurational sampling

Mar 25, 2018

The tutorial offers an introduction to the "middle" scheme of thermostat algorithms in the AMBER program package...(read more)

Amber 2023 reference manual

Apr 21, 2023

The Amber 2023 Reference Manual is the official guide to the Amber 2023 package. It is available in PDF format...(read more)

Tutorial – A general suite for benchmarking nonadiabatic dynamics

Sept 25, 2025

This tutorial will show you the general suite for benchmarking nonadiabatic dynamics discussed in the following paper: Baihua Wu, Bingqi Li, Xin He, Xiangsong Cheng, Jiajun Ren, Jian Liu, J. Chem. Theory Comput., 21(8), 3775-3813 (2025) ... (read more)