Hi Jason,
I tried your script. It seems passed the command addIons but gives "segmentation fault" at the "saveAmberParm".
Is that the same problem you have encountered?
Sincerely,
Wei
On May 25, 2010, at 12:58 PM, Jason Swails wrote:
> Hello,
>
> I encountered a bug while running a script through sleap (it runs in tleap
> just fine). It's having problems, I think, in adding ions post-solvation
> (i.e. replacing a water molecule with an ion).
>
> I've attached the script that gives me the error.
>
> Thanks!
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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> AMBER-Developers.ambermd.org
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Received on Tue May 25 2010 - 11:30:03 PDT
