On Mon, Feb 09, 2009, Daniel Roe wrote:
>
> A while back I had added support in amber11 for writing Netcdf trajectories
> during REMD by adding a replica temperature field to the files. I also
> updated ptraj so it could read these files. I was under the impression that
> netcdf trajectories with REMD was disabled in Amber10 since the trajectories
> written out have no temperature info, but this turns out not to be the case.
> I am attaching patches for sander and ptraj in Amber10/Ambertools (the
> latest bugfix versions) that will enable REMD Netcdf support in both. I have
> done some testing, but I would appreciate any error reports as soon as
> possible. This bug is something that anyone who does a lot of REMD needs to
> know about. I apologize for not catching it earlier.
Hi Dan:
It looks like you've run these a lot, and they have been in Amber11 for
a while. Should I go ahead and post them to the bugfix page?
...thanks...dave
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Received on Wed Feb 11 2009 - 01:19:26 PST
