Resent, as gnome mail treats such extensions as "diff" or "log" not as a true
attachment. To avoid possible distortions of characters, I have deleted the
extension diff from the (hopefully) attached file.
_______________
Thanks. When correctly run
$ make test.serial
does indeed generate a TEST_FAILURES.diff, related to amoeba, QM-MD, and
antechamber. The latter module will be my horse.
I tried to understand the failures displayed. Cryptic for me at this stage.
Therefore, I regret to have to ask for help again. Though, I understand, I am
on the right road.
Thanks
francesco
--- "David A. Case" <case.scripps.edu> wrote:
> On Sat, Jun 30, 2007, yen li wrote:
>
> > I have downloaded the new parameters tar from AMBER website. In the new
> > frcmod.ff03 file, there are two sets for the same dihedral "CT-CT-N -C or
> C
> > -N -CT-CT" that too CT-CT-N -C with force constant 0 (effectively not being
> > there at all).
> >
> > Is there any particular reason for so?
>
> This is to make sure that the non-zero value in parm99.dat for this torsion
> is not used.
>
> ...dac
>
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Received on Sun Jul 01 2007 - 06:07:52 PDT
