Re: [AMBER] Distance based mask for qmmask

From: Jason Swails <>
Date: Tue, 30 Jul 2013 23:30:01 -0400

On Tue, Jul 30, 2013 at 11:22 PM, Ross Walker <> wrote:

> FYI - Adaptive QM/MM support will be part of the next version of AMBER. It
> would have been available earlier but unfortunately NSF ran out of money
> before they could fund our proposal for developing the method further.

But "variable solvent" is there, right? It appears to have a test case in
Amber 12, and I couldn't find any reason why the code would trap it...

If all you need to do is swap solvent, you may be able to get away with
vsolv=1, but I'll defer to the experts on this one.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Tue Jul 30 2013 - 21:00:03 PDT
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