[AMBER-Developers] Amber tools 1.4?

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 22 Feb 2010 16:29:32 -0800

Hi All,

A few of us are currently discussing things that need to be finished for
AMBER 11 and this includes things like PM6 in sqm / sanders QMMM, IPS in
PMEMD, Sander support for Chamber etc. One thing that has come up is that
several of these things will change AMBER Tools code as well as AMBER. The
SQM stuff for sure. Additionally we need to remove some development tests
from Chamber that ended up getting released with AMBERTools 1.3 that should
not have been in there. Plus we plan to change the way Chamber deals with
the origin to get imaging working 'properly'.

Thus I wanted to get opinions on whether we should release a AMBERTools 1.4
along with the release of AMBER 11. This would be useful since then we would
have a point at which both AMBER 11 and AMBERTools 1.4 match. This would
also correspond to the same snapshot in terms of CVS and avoids us having to
release additional patches for AMBERTools (quite large patches) to get it in
sync with shared items in AMBER 11.


All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.

AMBER-Developers mailing list
Received on Mon Feb 22 2010 - 17:00:02 PST
Custom Search