AMBER Archive (2004)

Subject: Re: AMBER: How to make leap recognise inosine?

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Mar 23 2004 - 11:57:27 CST

> Can somebody please suggest how do i make leap recognise inosine?

Create a residue template for it. See leap docs & demos.

> Would i also require a new parameter set for inosine?

Charges would be probably the most difficult thing to get; it's
likely that no new atom types or parameters would be needed.

Depending on the purpose, you might be able to use antechamber,
however given the stacked nature of nucleic acids I'm not sure
how well it would work.

Bill
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