Dear amber-users:
I have a question about improper dihedral parameters in ff03 united atom forcefield. As we all know, in order to prevent inversion of the stereochemistry,for united atom CH groups - sp3 carbons with one implicit hydrogen, improper dihedral parameters should be designed. However I can't see any improper dihedral parameters in the frcmod.ff03ua, how does ff03ua deal with CH improper dihedrals? If I want to simulate a branched alkane, can I use ff03ua forcefield?
This confused me a lot, will somebody please help me? Thanks very much in advance.
Regards
Shanshan Qin
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Received on Wed Jul 23 2008 - 06:07:45 PDT
