HiŁ¬Jason
I send the mol.prmtop, snapshot_lig.1.out and _rdparm.f to you.
I hope these can help to diagnose.
Thank you.
best wishes,
Alice
2010.4.28
2010/4/27 Jason Swails <jason.swails.gmail.com>
> Hello,
>
> On Tue, Apr 27, 2010 at 2:59 AM, Ying Yang <yingyang2008blue.gmail.com
> >wrote:
>
> > Dear Amber10 users,
> > Greeting.
> > I am trying to run mm_pbsa.pl binding_energy.mmpbsa >
> binding_energy.log
> > &
> > When it ran to sander_lig.1.out, it stopped.
> > And I receive the following error:
> >
> > At line 459 of file _rdparm.f
> > Fortran runtime error: Bad value during integer read
> > /sander -O -i sander_lig.in -o sander_lig.1.out -c
> > ./snapshot/snapshot_lig.crd.1 -p ../mol.prmtop not successful
> >
>
> This would seem to suggest that rdparm tried to read a value that should've
> been an integer but wasn't, which leads me to believe that your prmtop is
> somehow corrupted. Perhaps posting your prmtop file (mol.prmtop) will help
> us diagnose.
>
>
> >
> > After open _rdparm.f, I realise that this line 459 didn't exist....(
> > The file is located in src/sander)...
> > I will be very grateful to receive all idea to go through this problem...
> >
> >
> > Best regards
> >
> > Alice
> >
> 2010.04.26
> >
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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>
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- application/octet-stream attachment: _rdparm.f
Received on Tue Apr 27 2010 - 20:00:03 PDT
