OPLS force field for carbon tetrachloride ( ccl4 ) ?

From: wzhuang (wzhuang_at_uci.edu)
Date: Fri Apr 28 2006 - 02:15:44 CDT

Dear All:

I need to use the OPLS parameters of ccl4 for a simulation, now the only parameter set that I can find is in Jorgensen's 1992 jacs paper (JACS, 1992,114,7535-7542). but is this the most recent one? also, it lacks the parameters for the spring strength for the bond streching and angle bending,could anybody give me some hint about where to find the correct parameters?

Wei

wzhuang
2006-04-27

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