On Wed, Sep 26, 2012 at 10:53 PM, Zalikha Ibrahim <zalikha.ibrahim.yahoo.com
> wrote:
> Dan,
>
> Your question reminds me about one input I don't understand, the ioutfm=1.
> -.-
> I actually followed a tutorial, it put the ioutfm=1. It was my fault not
> inspecting the input before running the simulation. I named the output as
> .mdcrd., and not .nc (does it affect?)
>
This has no effect. cpptraj (and ptraj) autodetects filetypes regardless
of filename extension.
When i try to look at the head using ncdump -h prod.mdcrd, it printed out
> 'ncdump: prod.mdcrd: NetCDF: Unknown file format'.
> Any suggestion?
>
Re-run... There is no way for us to tell what file format this is. You
say you used NetCDF (and based on your results from 'head', it's definitely
a binary file), yet ncdump cannot read it. Ergo, it is either *not* a
NetCDF file (binpos, maybe, if you're using an old Amber version?), or a
badly corrupted one.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 27 2012 - 04:30:02 PDT
