On 21/08/18 16:27, Daniel Roe wrote:
> Hi,
> I was unable to reproduce your error. However, I did find and fix some
> uninitialized variables related to cluster averaging (purely cosmetic,
> previous calculations are unaffected) that could potentially cause
> strange behavior with certain compilers or on certain platforms. If
> you get a chance please download the latest GitHub version
> (https://github.com/Amber-MD/cpptraj) , recompile, and see if that
> fixes things.
> Thanks for the report,
> -Dan
Thank you for the reply. I will get the latest GitHub version and test it, but this will be most probably during the first week of September. Anyway, as soon as I get an answer I will post again with
the results.
Thank you again,
Charo
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Received on Tue Aug 21 2018 - 10:30:03 PDT
