Re: [AMBER] use of packmol in amber

From: subrata paul <paul.subrata34.gmail.com>
Date: Tue, 14 Dec 2010 15:23:58 +0400

dear sir

when i run in sander no error is coming but the output file is not written.

thanking u
subrata

On Tue, Dec 14, 2010 at 8:41 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> > My command line is
> > $AMBERHOME/exe/sander -O -i min.in -o min.out -p mixture_32.top -c
> > mixture_32.crd -r min.rst
> >
> > We tried it two-three times but no out put is created. Why????
>
> In this situation one would expect to see a message printed by the
> program or the operating system explaining what the problem is.
> This is why I asked you to copy/paste the command line and the
> result. So I expect to see something like this:
>
> $ $AMBERHOME/exe/sander -O -i min.in -o min.out -p mixture_32.top -c
> mixture_32.crd -r min.rst
> AMBERHOME: Undefined variable.
> $
>
> to give one possibility. Note the presence of the two '$' shell
> prompts - these indicate that everything from the beginning to the
> end of program invocation have been copied and pasted. Without
> seeing that, it is impossible to know whether you are simply
> overlooking the diagnostic message, or whether there is no such
> message, which would be very unusual.
>
> Bill
>
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>
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Received on Tue Dec 14 2010 - 03:30:02 PST
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