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Title: NAMD - The Engine for Large-Scale Classical MD Simulations of Biomolecular Systems Based on a Polarizable Force Field: ALCF-2 Early Science Program Technical Report

Technical Report ·
DOI:https://doi.org/10.2172/1079771· OSTI ID:1079771

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
SC OFFICE OF BASIC ENERGY SCIENCES
DOE Contract Number:
DE-AC02-06CH11357
OSTI ID:
1079771
Report Number(s):
ANL/ALCF/ESP-13/14
Country of Publication:
United States
Language:
ENGLISH