Dear amber users,
I am trying to parametrise a modified nucleotide. The DNA molecule which I am trying to simulate contains normal nucleotides as well as modified ones. When I am assigning AMBER atom types, there are some missing angle parameters. So I tried GAFF, and in this case there are no missing parameters. My question is, Is it a reasonable approach to use amber atom type and gaff atom type for the same molecule? If not how can I assign missing parameters for amber atom types?
Thanking you,
Mathew
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Received on Wed Feb 28 2007 - 06:07:16 PST
