Re: [AMBER] Multiple restraint masks

From: case <>
Date: Wed, 27 Nov 2013 21:23:44 -0500

On Tue, Nov 26, 2013, Jio M wrote:
> Sorry for jumping from my mail to here. Looks like Michael and me have
> same problem. In sec 6.13 it uses igb=0;
> does it work fine with explicit waters as well?

It should, and my students have done such calculations. But be sure to do
some simple test calculations to see what is happening and to tune the
parameters of the EMAP potential to do what you want.


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Received on Wed Nov 27 2013 - 18:30:02 PST
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