Hi Giovanni,
> thank you for your kind reply and your support.
> I have not replied to you yet because we are running several tests and
> trials to be sure we are not able to capture where the problem is. In
> fact
> it is a nonsense to bother the amber community if the problem is in the
> structures input files (pdb, connections, etc.).
> Just one thing:
>
> Indeed I am not running the very last version "2.3" but the "2.2" -
> what
> does change between the 2 versions?
Please update to the latest version, bugfixes 1 to 19 before you spend any
more time trying to figure things out. There are a number of bugs fixes,
especially regarding simulations with cut offs greater than 8 angstroms.
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 Wed Apr 11 2012 - 09:30:05 PDT
