AMBER Archive (2009)

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

From: case (
Date: Fri Oct 30 2009 - 07:49:46 CDT

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.


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