Hi all,
I am attaching a patch for amber10 which will update trajectory post
processing to enable reading of netcdf trajectories and trajectories with
box coords (these changes have just been checked into the amber11 tree).
This will also update the trajene test case and the sander/Makefile 'make
clean' command to force a rebuild of the 'depend' file, which is required
for this change to work. Future test cases will be coming that will test
both of these new features.
This patch requires the most up to date version of amber10 (bugfix 13 I
believe), and a 'make clean' in order to compile correctly. I have tested it
on my local copy of amber10 (ifort/mpich2) and it works just fine. If there
are any problems applying this patch please let me know ASAP.
-Dan
--
Daniel R. Roe, Ph.D.
Research Chemist
National Institute of Standards and Technology
100 Bureau Drive, Stop 8443
Gaithersburg, MD 20899-8443
(301) 975-8741
Received on Mon Jul 06 2009 - 10:02:03 PDT
