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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 27 2010 - 05:30:03 PDT
