On Tue, Sep 28, 2010 at 8:13 AM, juzer stationwala <juzer.niper.gmail.com>wrote:
> I tried the trick but the error was still persisting.
> there was an additional error which appeared in console while the job was
> running.
>
>
> namelist read: missplaced = sign
>
Cannot match namelist object name 4
>
This right here suggests that you did not properly add the fillratio=4
variable in the right place. sander is complaining about a "misplaced
equals sign". Exactly what changes did you make? What does the pb input
file look like in mm_pbsa_createinput.pm? (not the actual PB input file
created, but the one that is printed out inside the source code). Check
this for any obvious errors.
All the best,
Jason
> /opt/amber10/exe/sander -O -i pbsa_lig.in -o pbsa_lig.1.out -c
> ./snapshot_lig.crd.1 -p ./lig.prmtop not successful
>
> --
> Regards:
>
> Juzer Stationwala,
> Dept. of Pharmacoinformatics,
> National Institute of Pharmaceutical Education & Research
> (NIPER)
> Mohali,
> Punjab.
> India
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Sep 28 2010 - 07:30:04 PDT
