Re: [AMBER-Developers] [AMBER] Error with mdnab from amberlite

From: David A Case <>
Date: Thu, 3 Jan 2019 09:09:33 -0500

On Wed, Jan 02, 2019, Sundar wrote:
>$ mdnab prot.min.pdb prot.prm md 1 1000
>NETCDF Error (Invalid argument): Creating Netcdf file
>Error: netcdfWriteFrame: AmberNetcdf file not open.

Thanks for the report. I'm cc-ing this to amber-developers, and hope
that someone (Scott?) has the time to look into this.

Partial explanation: amberlite was written *long* ago, even before Amber
used netcdf format for trajectory files. The program is trying to write
a "binpos" (binary position) file, which was deprecated long ago. I'm
hoping this will be a fairly easy fix.


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Received on Thu Jan 03 2019 - 06:30:03 PST
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