Re: [AMBER] strange format of .rst file

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 18 Nov 2016 16:20:42 +0000

ntxo=2 is the amber netcdf restart format. This is a binary format, i.e. it
is not human-readable. If for some reason you want it converted back to
ascii, you can use something like:

cpptraj -p topology.parm7 -y netcdf.restart -x ascii.rst7

However, in most cases this is unnecessary.

-Dan

On Fri, Nov 18, 2016 at 8:54 AM Thakur, Abhishek <axt651.miami.edu> wrote:

> Hi everyone,
>
> Earlier while working of GB/SA calculation I had a problem in which my
> simulation stopped as it was unable to read some line in my .rst file.
>
> So as per earlier comment from Dr.Daniel Roe
> http://archive.ambermd.org/201310/0426.html
>
> I have made ntxo=2, But after that I can find that my .rst file has given
> me output something like this
>
> CDF^B^@^@^@^@^@^@^@
>
> ^.^.^.^B^.^.^.^Gspatial^.^.^.^.^C^@^@^@^Datom^@^@)Ò^@^@^@^L^@^@^@^F^@^@^@^Etitle^@^@^@^@^@^@^B^@^@^@^Ldefault_name^@^@^@^Kapplication^@^@^@^@^B^@^@^@^EAMBER^@^@^@^@^@^@^Gprogram^@^@^@^@^B^@^@^@^Epmemd^@^@^@^@^@^@^NprogramVersion^@^@^@^@^@^B^@^@^@^D14.0^@^@^@^KConventions^@^@^@^@^B^@^@^@^LAMBERRESTART^@^@^@^QConventionVersion^@^@^@^@^@^@^B^@^@^@^C1.0^@^@^@^@^K^@^@^@^D^@^@^@^Dtime^@^@^@^@^@^@^@^L^@^@^@^A^@^@^@^Eunits^@^@^@^@^@^@^B^@^@^@
>
>
> I am unable to get what is this and how to convert it back
>
>
>
> with regards,
>
> Abhishek
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Nov 18 2016 - 08:30:02 PST
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