Hi,
Due to an oversight this information is not in the Amber 12 manual;
errata will be posted to the website shortly.
As Jason said, to output NetCDF restart files specify 'ntxo = 2' in
the cntrl namelist.
For reading, NetCDF restart files are detected automatically, and only
respond to 'ntx = 1' (read coordinates only) or 'ntx = 5' (read
coordinates and velocities).
Please let me know if you encounter any problems.
-Dan
On Mon, May 14, 2012 at 9:35 AM, Jason Swails <jason.swails.gmail.com> wrote:
> Try ntxo = 2. ioutfm is only for the mdcrd/mdvel files.
>
> HTH,
> Jason
>
> On Mon, May 14, 2012 at 6:26 AM, Lucas A. Defelipe <ldefelipe.gmail.com>wrote:
>
>> Hi,
>> While using the flag ioutfm=1 and/or ntxo=0/1, the restart files are
>> always written in plain text. I read in this mail list that this would be
>> implemented in Amber12. Is that correct?
>>
>> Kind regards,
>> Lic. Lucas A. Defelipe
>> Laboratorio de Bioinformática Estructural - QB6
>> Departamento de Química Biológica, FCEyN - UBA e INQUIMAE-CONICET
>> 4to. piso Ciudad Universitaria Pabellón II
>> Int. Guiraldes 2620 C1428EHA
>> Ciudad Autónoma de Buenos Aires, Argentina
>> Tel: +54 11 4576 3300 int 205
>> http://bioinf.qb.fcen.uba.ar
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
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Received on Mon May 14 2012 - 09:00:03 PDT
