I should have checked the files before the release.
yong
> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of David A. Case
> Sent: Friday, June 02, 2006 9:52 AM
> To: amber-developers.scripps.edu
> Subject: amber-developers: followup on the frcmod.ff03 bug
>
>
> Hi everyone:
>
> As I reported to the amber list, a bugfix is necessary for
> ff03 in Amber 9.
> This is a result of fixing one bug, that then causes a new one....
>
> In order to trap these, we should have test cases that use
> tleap to create
> prmtop files for all the "major" force field field variants,
> and then check
> the outputs against known "good" prmtop files. This will be
> crucial as we
> undergo the transition from tleap to gleap; (Wei is about
> ready to have people
> start testing gleap.)
>
> So I'd ask you (as you have time) to add some new test cases
> to the Amber10
> CVS tree. These should run tleap (for now) and check that
> the resulting
> output files match a ".save" file that you are confident is
> doing the right
> thing.
>
> I suggest that you add these new tests in the
> amber10/test/leap directory,
> extending the "Run.tleap" script that is already there.
>
> ...thanks!...dave
>
Received on Wed Jun 07 2006 - 06:07:09 PDT
