Article ID: 546 - Last Modified: October 11, 2012
What is the correct reference for OPLS_2005? Is there any publication where we can find the OPLS_2005 parameters?
If you want to cite a single paper, use the following reference:
The OPLS_2005 parameters are described in Banks, J.L.; Beard, H.S.; Cao, Y.; Cho, A.E.; Damm, W.; Farid, R.; Felts, A.K.; Halgren, T.A.; Mainz, D.T.; Maple, J.R.; Murphy, R.; Philipp, D.M.; Repasky, M.P.; Zhang, L.Y.; Berne, B.J.; Friesner, R.A.; Gallicchio, E.; Levy. R.M. Integrated Modeling Program, Applied Chemical Theory (IMPACT). J. Comp. Chem. 2005, 26, 1752.
The OPLS_2005 parameters are located in
$SCHRODINGER/mmshare-vversion/data/f14/
You can use a MacroModel complete energy listing (Applications → MacroModel → Current Energy) and the Force Field Viewer (Tools → Force Field Viewer) to view the parameters for a specific structure.
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