Dear Colleagues,
Shell Interface for Combining Tinker With ONIOM (SICTWO) gives access to the force fields available in the Tinker molecular mechanics program (AMOEBA, MM3, MMFF, OPLS-AA, AMBER, CHARMM, ...) from a Gaussian09 or Gaussian16 calculation. SICTWO is available free of charge for academic users.
More information can be found at;
J. Chem. Inf. Model., 2018, 58 (9), pp 1828–1835.
https://pubs.acs.org/doi/10.1021/acs.jcim.8b00332
SICTWO manual can be found at;
https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00332/suppl_file/ci8b00332_si_002.pdf
Best regards,
Sameera.
…..
W. M. C. Sameera, PhD
Assistant Professor
Institute of Low Temperature Science
Hokkaido University
Kita-ku North 19 West 8
Sapporo 060-0819, Japan.
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