[Chimera-users] info about energy in the minimize module

[Elaine Meng]

Hi Bruno,
Information on total energy and gradient norm is sent to the Reply Log  
(under Favorites in the menu).

Currently there is a minor bug in that the reported step number is  
reset to 0 after each display update, but that does not affect the  
energy information.  For example a 100-step minimization with updates  
every 10 frames reports the energy at step 0, step 10/step 0, step  
10, ... instead of step 0, 10, 20, 30 ...   I've filed a bug report on  
that.

Generally most information generated by various tools will be sent to  
the Reply Log.
Best,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html

On Dec 18, 2008, at 2:22 AM, Bruno Villoutreix wrote:

> Hello
> not sure this is the right place to ask...
> when running minimization in Chimera, do you have a window that show  
> the energy values before and after the process ? or should this be  
> done via a terminal window using the nogui option ?
> maybe the info is here around but could not find it so far
> many thanks
> Bruno