Brian
What input file would you like?
Sent from my iPhone
On Nov 2, 2011, at 11:24 AM, Brian Radak <radak004.umn.edu> wrote:
> Charlie,
>
> You're going to have to be a bit more specific. Can you post an input
> file? rk2 sounds like part of the NMR/restraint module but doesn't get us
> very far beyond that...
>
> Regards,
> Brian
>
> On Wed, Nov 2, 2011 at 11:53 AM, Charles Johnson <cjohns98.slu.edu> wrote:
>
>> I am currently trying to run simulated annealing in vacuum and am running
>> into the following error:
>>
>> At line 976 of file _nmrcal.f
>> Fortran runtime error: Bad data for namelist object rk2
>>
>> Any help would be greatly appreciated.
>>
>> Thanks,
>> Charlie
>>
>> --
>> Charles A. Johnson
>> Graduate Student
>> Department of Chemistry
>> Saint Louis University
>>
>>
>>
>>
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>
>
>
> --
> ================================ Current Address =======================
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Received on Wed Nov 02 2011 - 10:00:03 PDT
