File generated by QwikMD (version 1.1) on 11:15-CEST, 07/29/2016 Machine name: champaign.fritz.box (Linux). ============================================================================== QwikMD text log file. In this file one can find the steps taken to prepare, perform and analyze the MD simulation. The file is divided in 3 major sections: "Structure Preparation" lists the operations performed to prepare the structure for simulation, such as atom deletion and residue renaming; "MD Protocols" lists the MD simulation protocols prepared/performed and their specific parameters like temperature, and simulation time; "MD Analysis" list the analysis performed to the trajectory generated by the execution of the previous MD protocols. ============================================================================== ============================== Structure Preparation =============================== The structure rpn11_merged.pdb was loaded from a local folder: /home/max/Dropbox/tutorial/3.modelfit. The original structure can be found at /home/max/Dropbox/tutorial/3.modelfit/rpn11_fit/setup/rpn11_merged_original.pdb ================================================================================= ================================== MD Analysis ====================================