[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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