AMBER Archive (2009)

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

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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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• Previous message: Tom Joseph: "Re: [AMBER] Ligand covalent bonds appear to be broken"
• In reply to: nicholus bhattacharjee: "Re: [AMBER] Is it the way to do simulation in vacuum"
• Next in thread: Carlos Simmerling: "Re: [AMBER] Is it the way to do simulation in vacuum"
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