Re: [AMBER-Developers] Problems with leaprc.ff99SB and DNA

From: case <>
Date: Tue, 7 Jul 2009 12:59:27 +0100

On Mon, Jul 06, 2009, Ross Walker wrote:
> So looking at the changes above I think the A5's, A3's, T5's, T3's and T's
> are no longer recognized while the A is miss recognized as RNA. Should we
> re-update leaprc.ff99SB? Or update nucgen to use the new residue names?

My best recommendation: dump nucgen. Either use the fd_helix() routine in
NAB, or (better) point users to, which creates files
with proper nomenclature and many more options for what sort of starting
structure to create.


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Received on Tue Jul 07 2009 - 10:08:03 PDT
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