On Thu, Mar 20, 2008, Ross Walker wrote:
>
> Someone just posted to the AMBER list that they can't find water.in in
> $AMBERHOME/dat/leap/prep/
The solvents.lib file is built from solvents.cmd (both in
amber9/dat/leap/lib).
>
>
> I assume the manual should reference solvents.lib although it also
> references things like tip3pbox.off which is there although is
> supserceded??? by solvents.lib.
tip3pbox.off is still there, although you are correct that solents.lib is
more complete.
>
> Does anyone have suggestions on how we should update the manual here?
Sure...update the errata.html file in amber_web and commit to CVS.
>
> Note the AMBER 10 Tools manual has the same error at the bottom of page 24.
I fixed it...but you could too :-)
Note that section 2.8 (on ions) needs a complete re-write. And, I'm
still hoping that *someone* among the group getting paid by NIH to work
on Amber force fields will spend 1 hour to proofread and update the
force field chapter. [This would be an educational activity, so busy PI's
could justify asking a student or post-doc to do this as a part of their
training.]
Ray: if you are going to contribute N-terminal and C-terminal files for ff03,
now is the time!
...dac
Received on Fri Apr 18 2008 - 21:12:36 PDT
