Re: [AMBER] sander number of atoms limit

From: David A Case <david.case.rutgers.edu>
Date: Tue, 5 Apr 2016 12:13:11 -0400

On Tue, Apr 05, 2016, Jason Swails wrote:
>
> Set ntxo=2 in the input file to sander. That will make sander write
> the restart file in NetCDF format which doesn't suffer the limitations
> that the ASCII format does.

For Amber16 we are, in fact, changing the default output formats for both
restart and trajectory files to NetCDF.

...dac


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Received on Tue Apr 05 2016 - 09:30:04 PDT
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