Re: [AMBER] nmropt problems

From: Andrea H. Kasun <andrea.h.kasun.gmail.com>
Date: Thu, 29 Aug 2019 18:02:06 +0200

Thank you for your quick response! Indeed the problem was in my file
referred to by the "-ref" flag!

Sincerely,
Andrea

On Wed, Aug 28, 2019 at 5:15 PM David A Case <david.case.rutgers.edu> wrote:

> On Wed, Aug 28, 2019, Andrea H. Kasun wrote:
> >
> >At line 297 of file set.F90
> >Fortran runtime error: Bad value during integer read
>
> Can you check your command-line flags? The error looks like it has
> nothing to do with nmropt, but with reading in the reference
> coordinates. Check the file referred to by the "-ref" flag, and look at
> its second line, which should give the number of atoms.
>
> If this doesn't help, we'd need to know what program you are running,
> and which version of Amber or AmberTools you have.
>
> ...dac
>
>
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Received on Thu Aug 29 2019 - 09:30:02 PDT
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