Dear all,
I am parametrising an RNA base (i.e., guanine) which terminates with 5-OH
at the end of the RNA chain.
Following this tutorial:
http://ambermd.org/tutorials/advanced/tutorial1/
one has to add ACE and NME as capping residues at the end of the
non-standard molecule.
My question is: having an RNA bases, which terminates with 5'-OH , how
shell I cap the 3' extremity?
Which residue shell I use as capping residue? And, in case the residue is
not ACE nor NME, which charges shell I assign during the RESP fitting
procedure?
thank you very much
Best
Giulia
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Received on Fri Aug 04 2017 - 15:00:03 PDT
