Hi Emilio,
That shouldn’t happen, and it looks more like a case of corrupted file somehow. Can you send me input input files so I can try them?
Gustavo Seabra
> Em 02/10/2015, à(s) 15:11, Emilio Lence <guitarro.de.meixente.gmail.com> escreveu:
>
> Dear amber users
> Recently I installed the AmberTools 15. When I tried to run a DFTB
> calculation with sander module, I couldn't. The reason is that do not
> recognised some atoms. In my case were 3 O atoms are recognised not as
> oxygen but as ^.^.. As a consequence I have an additional atom type (7
> instead of 6) with no parameters for it. I tried to copy de O-X.skf files
> as ^.^.-X.skf, but the sander module do not recognised the new files
> (although it ask for then). In previous versions of amber, you can run the
> job without problem.
> I'm almost sure that I installed all the updates fro ambertools, but right
> now I can't access the website of amber to check if there is son update
> related with this problem.
> Thanks for your kind attention
> Have a nice weekend
>
>
> --
> Dr. Emilio Lence Quintana
> Organic Chemistry Department-CIQUS
> University of Santiago de Compostela
> 15782 Santiago de Compostela, Spain
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Received on Fri Oct 02 2015 - 13:00:03 PDT
