Re: [AMBER] can “NAB: Molecular mechanics and dynamics” do qmmm caculation?

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 19 May 2014 07:51:22 -0400

On Mon, May 19, 2014, 张明焜 wrote:
>
> I want make a qmmm caculation in “NAB: Molecular mechanics and dynamics”
> (AmberTools12 pp.417), I know it can be achieved in sander like below:

> Can this function be realized in “NAB: Molecular mechanics and dynamics” ?
>

No....only sander has qm/mm......dac


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Received on Mon May 19 2014 - 05:00:03 PDT