Hi,
When running several simulations of the same protein, 5ns each, there is a small jump in energy when starting the next one (which uses of course the . rst file of the previous one as the starting point), why is that???
Here is the graph of energy vs time, the jump is at time 5600 (since the equil was 600 ps). Why?
Thansk a lot,
Fabian
Dr. Fabian Glaser
Head of the Structural Bioinformatics section
Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Interdisciplinary Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa 32000, ISRAEL
fglaser at technion dot ac dot il
Tel: +972 4 8293701
http://bku.technion.ac.il
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Received on Tue Oct 27 2015 - 07:00:04 PDT
