AMBER Archive (2005)

Subject: Re: AMBER: convert one functional group to another with TI

From: David A. Case (case_at_scripps.edu)
Date: Wed Feb 23 2005 - 17:01:42 CST

On Wed, Feb 23, 2005, David A. Case wrote:

...oops...

>
> You should certainly try to decouple the electrostatic and atom-type changes
> if you are not already doing so. (The output snippet from above shows only
> electrostatic changes, so maybe that is already a problem.)
                                          ^^^^^^^ should be: "not"

...dac
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