From owner-chemistry@ccl.net Tue Oct 9 11:22:00 2018 From: "WMC Sameera wmcsameera,+,LOWTEM.HOKUDAI.AC.JP" To: CCL Subject: CCL:G: Shell Interface for Combining Tinker With ONIOM (SICTWO) Message-Id: <-53505-181009094601-7539-nklfxi52Uf4fqJfwpWMIVw++server.ccl.net> X-Original-From: "WMC Sameera" Date: Tue, 9 Oct 2018 09:45:58 -0400 Sent to CCL by: "WMC Sameera" [wmcsameera=-=LOWTEM.HOKUDAI.AC.JP] 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 18281835. 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.