Dear All,
I would like to make sure whether these parameters
O X X C 2 0.0000 1004.16
NH1 X X H 2 0.0000 167.36
under [ dihedraltypes ] card in ffbonded.itp file are the improper dihedral
parameters for the peptide bonds as defined in aminoacids.rtp file with
the following statement:
[ impropers ]
N -C CA HN
C CA +N O
If so, why isn't it C X X O if the first atom should be the to which all
the
others are connected?
Best Regards,
Dawid
PS I have sent the same question to a different address. I apologize if I
doubled the topic.
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