Parameters for none-natural RNA
stein at microvirus.chem.tufts.edu
Fri Jun 7 11:59:29 EST 1996
A beginners question:
is there any advice, how to get xplor parameterized for the calculation
of a none-natural RNA, let's say sulfone linked instead of phosphate?
How do I get the force-field parameters for the SO2-Group and the
dihedral angles of the new parts of the building blocks.
I didn't find an answer in the faq, when I went through it (quickly :-))
Any help appreciated very much.
Dr. Christoph Steinbeck (stein at microvirus.chem.tufts.edu)
Dep. of Chemistry, Tufts University,
62 Talbot Ave.
Medford, Massachusetts 02155
Phone: (617) 627-3881 FAX: (617) 627-3443
More information about the X-plor