[Swift-devel] Q about MolDyn

Veronika Nefedova nefedova at mcs.anl.gov
Mon Aug 6 14:11:58 CDT 2007


m050 and m179 finished just fine now via GRAM (thanks to Yuqing who  
fixed the m179 just in time!). We could start again the 244- molecule  
run to verify that nothing is wrong with the whole system.

Nika

On Aug 6, 2007, at 12:20 PM, Veronika Nefedova wrote:

>
> On Aug 6, 2007, at 11:51 AM, Ioan Raicu wrote:
>
>
> I started those 2 molecules via GRAM. I have no trust in m179  
> finishing completely since I didn't change anything. I hope for  
> m050 to finish though...
> You can watch the swift log on viper in ~nefedova/alamines/MolDyn-2- 
> loops-be9484k93kk21.log
>
> Nika
>
>> Then, let's try another run with 244 molecules soon, as most of  
>> ANL/UC is free!
>>
>> Ioan
>>




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