Re: AMBER: Restraints in sander.QMMM

From: David A. Case <case.scripps.edu>
Date: Tue, 14 Sep 2004 15:21:07 -0700

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Sep 14 2004 - 23:53:00 PDT
Custom Search