From: The Cromicus Productions (thecromicusproductions_at_gmail.com)
Date: Sun Dec 24 2017 - 03:49:07 CST
Hi everyone,
I'm working with DNA and trying to convert an adenine group into an
N6-methyladenosine. I found the force field from
Xu, Y., K. Vanommeslaeghe, A. Aleksandrov, A. D. MacKerell and L. Nilsson
(2016). "Additive CHARMM force field for naturally occurring modified
ribonucleotides." Journal of Computational Chemistry 37: 896-912
on one of the latest modifications of CHARMM36
(toppar_all36_na_rna_modified.str)
but I'm having problems because there is no patch defined to do this
modification and I don't know how to define a patch. Could anyone lead me
towards how to perform this task?
I have succeeded before with other modifications such as methylating C
bases, but I always had a patch defined in the force field to do this.
Thank you very much and merry Christmas,
Sebastian
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