Thank you DAC
It worked with -ref .inpcrd.
Regards
Sadaf
On Fri, 9 Jul 2021 at 22:11, David A Case <david.case.rutgers.edu> wrote:
> On Fri, Jul 09, 2021, Sadaf Rani wrote:
>
> >I am getting an error of "Fortran runtime error: Bad value during integer
> >read" while running minimization. I am giving following command:-
> >sander -O -i min1.in -o min1.out -p complex_wild.prmtop -c
> >complex_wild.inpcrd -r min1.rst -ref complex_wild.prmtop
> ^^^^^^^^^^^^^^^^^^^^^^^^
>
> You are giving the prmtop file as input for the reference coordinates.
> You need to put coordinates here, probably complex_wild.inpcrd.
>
> Just a note: if you had included the "line 300 of set.F90" part of the
> error, it would have been much easier for people to spot this sort of
> error.
> It' always good to copy and paste the exact error message.
>
> .....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 09 2021 - 19:30:02 PDT
