Re: [AMBER] Fortran runtime error during 1D-RISM analysis to generate .xvv file

From: tluchko <tluchko.protonmail.com>
Date: Thu, 02 Dec 2021 18:01:10 +0000

> (unit = 10, file = 'test.inp')
> Fortran runtime error: End of file

I'll also point out that the error report is in reading 'test.inp', not the MDL file. This is commonly due to a problem with the namelist format, such as missing a newline character after the closing `/`.

Tyler

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‐‐‐‐‐‐‐ Original Message ‐‐‐‐‐‐‐

On Thursday, December 2nd, 2021 at 5:17 AM, David A Case <david.case.rutgers.edu> wrote:

> On Thu, Dec 02, 2021, Alexis Azucena wrote:
>
> > I am running 1D-RISM for the water-glycol system. I generated my *.mdl *file
> >
> > for the glycol as shown below:
> >
> > %FLAG POINTERS
> >
> > %FORMAT(10I8)
> >
> > 10 4
> >
> > %FLAG ATMTYP
> >
> > %FORMAT(10I8)
> >
> > 1 2 3 4
>
> Above looks wrong: the "10I8" is a fortran format, which says that each
>
> integer should take eight columns. Try changing this to
>
> %FLAG POINTERS
>
> %FORMAT(10I8)
>
> 10 4
>
> %FLAG ATMTYP
>
> %FORMAT(10I8)
>
> 1 2 3 4
>
> ...hope this helps....dac
>
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>
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Received on Thu Dec 02 2021 - 10:30:03 PST
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