AMBER Archive (2004)

Subject: Re: AMBER: Restraints in sander.QMMM

From: David A. Case (case_at_scripps.edu)
Date: Tue Sep 14 2004 - 17:21:07 CDT

On Tue, Sep 14, 2004, Joseph Fernandez wrote:
>
> I would like to add two harmonic restraints in the QM
> region. Is this possible with the current version of
> sander.QMMM?

Should be. Give it a try...basically, I can't think of a reason why this
should fail, but you should (as always) check your output carefully...

...dac

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