Ah, forgot about this.
The bugfix is already posted:
http://ambermd.org/bugfixes/AmberTools/1.4/bugfix.16
on
http://ambermd.org/bugfixesat.html
--Jason
On Wed, Nov 10, 2010 at 6:09 PM, Thomas Cheatham III <tec3.utah.edu> wrote:
>
> > When I calculated RMSd of catalytic domain of enzyme, slope was suddenly
> > soared at 4.8ns (I attached a plotting data). So I ran the VMD to
> visualize
> > what happened at this point, as I attached, protein structure was
> suddenly
> > collapsed at that point !
> ...
> > This is my second try. This problem was occurred at almost same point
> when I
>
> Let me guess: ascii trajectory, > 2 GB, trajectory was imaged/rms fit with
> ptraj from AmberTools prior to viewing it? This is a bug that plagued me
> until yesterday; fixed by Dan Roe and it is working it's way through the
> bugzilla chain and hopefully soon to the bugfix page...
>
> To get around this for now, use an earlier version of ptraj (amber10) or
> get the older standalone version from:
>
> http://www.chpc.utah.edu/~cheatham/ptraj-9.9i.tar.gz<http://www.chpc.utah.edu/%7Echeatham/ptraj-9.9i.tar.gz>
>
> --tec3
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Nov 11 2010 - 06:00:03 PST
