From: Lennart Nilsson (Lennart.Nilsson_at_ki.se)
Date: Fri May 27 2016 - 05:42:02 CDT
CHARMM36 parameters for Inosine (and all other known naturally occurring RNA nucleotide modifications, including various tautomers and protonation states) have recently been published:
Xu, Y., Vanommeslaeghe, K., Aleksandrov, A., MacKerell, A. D., and Nilsson, L. (2016) Additive CHARMM force field for naturally occurring modified ribonucleotides, Journal of Computational Chemistry 37, 896-912. (http://dx.doi.org/10.1002/jcc.24307)
The RTF and parameters are available in the supporting material, and also at Alex MacKerell's website:
(http://mackerell.umaryland.edu/charmm_ff.shtml) in the file toppar_c36_feb16.tgz (toppar/stream/na/ toppar_all36_na_rna_modified.str)
Lennart Nilsson
Karolinska Institutet
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:30 CST