I have updated the amber11 CVS to modify ambpdb.f. By default, it puts out
files that should be closer to the new, "remediated" wwPDB format. This
actually makes these files use atom names *much* closer to those used
internally by Amber. This is actually a big win for our codes.
However, some programs expecting pdb files may not read the old formats, so
you can turn off this behavior with the -noremediate switch, which gives the
behavior in Amber10.
Since it's only been tested a bit, please be alert for problems with the new
ambpdb.
...thx...dave
Received on Wed May 21 2008 - 06:07:02 PDT
