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Title: A Generic Implementation of Replica Exchange with Solute Tempering (REST2) Algorithm in NAMD for Complex Biophysical Simulations

Authors:
;
Publication Date:
OSTI Identifier:
1236959
DOE Contract Number:
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Computer Physics Communications; Journal Volume: 197
Publisher:
Elsevier
Research Org:
Argonne National Laboratory (ANL)
Sponsoring Org:
Argonne National Laboratory - Argonne Leadership Computing Facility
Country of Publication:
United States
Language:
English
Subject:
Free Energy Calculation; NAMD; REST2; Tcl