Re: [AMBER] Is it the way to do simulation in vacuum

From: case <case.biomaps.rutgers.edu>
Date: Fri, 30 Oct 2009 08:49:46 -0400

On Fri, Oct 30, 2009, nicholus bhattacharjee wrote:
>
> Yes sander is running when when I top. By the way do I have to make ntb=0 in
> the input file?

Yes: the default is ntb=1, so if you want a non-periodic simulation, you need
to add ntb=0. The error *might* be the cause of the hang.

...dac


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Received on Fri Oct 30 2009 - 06:00:08 PDT
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