Hello,
I'm a french student who's studying de parametrization of the
ambertools14 software for the purpose of a work experience.
I'm mailing you since you could help me understand some points.
1- " X -C -C -X 4 14.50 180.0 2. Junmei et al,
1999 "
What does the X stand for in this sample of parm10.dat (dihedral angle)
? I've been searching but couldn't find any answers in the docs.
2- Still talking about dihedrals angles,
RESI ARG
" chi1 N CT CT CT "
" chi3 CT CT CT N2 "
I can't find some of the parameters in this parm10.dat file, like in
this example (arginine residue). I don't know how those kind of dihedral
angles are processed by AMBER since they just don't exist in the files
or i can't find them.
Thanks a lot for your upcoming answers (i hope), I can't wait for them,
Best regards,
J.Teillet
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Received on Mon Apr 13 2015 - 06:30:02 PDT
