Information

Official site

http://pal.ims.ac.jp/pal/8000.php?t_application_id=6SEQ

License

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Availability Language: FORTRAN 512 Nodes: T2K-Tsukuba、AMD Opteron 8,192Nodes: K, SPARC
Core Developers Fumio Hirata (The institute of Science and Engineering, Ritsumeikan University)
Target substance/model Biopolymers including proteins and DNA, aqueous solutions
Physical quantities that can be computed Hydration structure, hydration free energy, pseudo dynamics, molecular recognition
Methodology RISM/3D-RISM
Related keywords
Document J. Chem. Theory Comput. 7, pp 3803–3815 (2011)
Other 関連アプリ: 3D-RISM-SCF: http://pal.ims.ac.jp/pal/8000.php?t_application_id=5XOQ 3D-RISM/MD: http://pal.ims.ac.jp/pal/8000.php?t_application_id=2HBQ