Hi All,
I just ran the script all the way to the end but did not see any problem.
It would be great if someone else can repeat the test and confirm
this.
My guess is an older version of sleap was used and generated a problematic
topology fie.
Sincerely,
Wei
On Apr 8, 2011, at 2:12 PM, Ross Walker wrote:
>> Ross, could you send us the GP one -- that's the sort of thing I recall
>> us seeing before. But, I think that might be a different issue from
>> this.
>
> The guy's on a plane back to Sweden now so will have to wait until next week
> as I do not have the build files. I'll dig around on our server and see what
> I can find and if I find something I'll post it.
>
>> Does it happen with sander? I often find that trying something using
>> both programs will result in a more useful set of errors...
>
> Yes, problem is the same (I am 'informed') whether you use pmemd or sander.
>
> All the best
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
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Received on Fri Apr 08 2011 - 12:30:13 PDT
