
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

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
participants (2)
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Bruno Villoutreix
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Elaine Meng