Hi,
That is what I expected, as I wrote in my previous mail.
You conformations are probably fine.
Berk
> Date: Mon, 16 Mar 2009 17:13:43 +0100
> From: andreas.fr...@ch.tum.de
> To: gmx-users@gromacs.org; oliver.dem...@ch.tum.de
> Subject: RE: [gmx-users] Wrong Shake Tolerance
> CC:
>
> Dear Berk,
>
> thank you very much for the quick reply. We have used regular
> reaction-field with cut-offs. The average temperature is not too low but
> 5K too high (compared with the adjustment of the temperature bath), but
> it read on the user-list that this behavior is common when using RF. We
> are only interested in structure refinement in a solvent box, so
> hopefully the results are ok?! At least, the peptide structures look
> like as we expected it.
>
> Bye,
>
> Andreas
> --
>
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