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@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