Hi.
I made an modified amino acid in GAFF.
Now I am trying to connect it to an a AMBER peptide.
AMBER peptide bond atom types looks like
|
C - CX - N - C -CX
|| | | ||
O H H O
in modified case it will look like:
c3
|
c- c3 - n - C -CX
|| | | ||
o h1 hn O
leap requesting to provide these
C -n -c3-c
C -n -c3-c3
C -n -c3-h1
torsions.
But I somehow
I was searching by analogy for
C-N-CX-(H,CX,C)
in par10.dat
But I cannot see anything suitable.
Any suggestions?
Does it make sense, at all what I do?
Thanks.
Petro.
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Received on Sat Mar 14 2020 - 14:30:02 PDT
