AMBER Archive (2005)

Subject: Re: AMBER: fail of minimization in sander

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 16 2005 - 09:44:21 CDT

On Thu, Jun 16, 2005, wendy wrote:

> In fact I have no idea what is the meaning of " non-zero 10-12
> coefficient". There are a lots of parameters in my modified set. Even the
> parameters I modifed are more than 10-12.
>
> I modify the parameters with Xleap in the way Amber Tutorial 4 does. Can
> you give me more suggestions?

You might want to describe what you actually did. It's not clear to me how
you could have "accidentally" entered a 10-12 parameter (which are only used
in the older versions of the Amber potential).

...dac

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