AMBER Archive (2007)

Subject: Re: AMBER: RE: FF94 or FF99?

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 23 2007 - 12:51:18 CST

On Thu, Nov 22, 2007, Ilyas Yildirim wrote:

> Just wanted to comment on the current force field's single strand
> predictions. We have done some explicit solvent simulations on single
> strand RNAs and saw that the current force field (amber99) is not doing
> any good predictions.

Just curious: what are the bad predictions? How do you know what the right
answer is, and are you sure that your calculations are converged?

....dac

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