AMBER Archive (2008)

Subject: Re: AMBER: DFTB parameters for O-P

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Wed May 07 2008 - 14:19:50 CDT

Hi Claudio,

> According to dftb.org people, they never coded the parameters for
> the O-P bond. Can I ask for some help?

That pretty much defines your problem: those parameters are not
available. Since sander did find the O-O.skf file, I assume you did
already register and download some parameter set from www.dftb.org,
right? This was most likely the "mio-0-1" set, which includes only O,
N, C, H and S.

Gustavo.
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