On 2012-12-10 15:44, Geoffrey Hutchison wrote:
>> The SSSR of buckyball has changed. Can I just update the energy in the
>> appropriate test file?
>
> Yes. You can do that manually or run ffmff94 -g to re-generate the test file.
>
By the way is there an instruction somewhere how to add tests to the 
repository?

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
sp...@xray.bmc.uu.se    http://folding.bmc.uu.se

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