![]() ![]() $ less hist2d.awk # 2D histogram analysis # Change directory for analysis of the 2D histogram $ cd. We will analyze the second ( $2) and third ( $3) columns of output.tor as specified in the middle row. In the header part of the program, you can see that the bin size of the histogram for each dimension ( binsizex, binsizey) and the analysis range ( xmin to xmax, ymin to ymax) are specified. The analysis program ( hist2d.awk) is already included in the directory, and it is a 2D extension of the previous 1D program. ![]() Next, we will analyze the Ramachandran plot data ( output.tor) obtained in Tutorial 3.1 to draw a 2-D histogram (or probability distribution). $ awk '' energy.logĢ.83058 1.3 Minimum and maximum values # Compute the minimum value of the 5th column # Change directory for statistics analysisġ.1 Averaged value # Compute the averaged value of the 5th column ![]() The following is an example of analyzing the energy trajectory data obtained in Tutorial 3.1 (the header and step 0 lines have been removed beforehand). However, simple statistics can be easily and quickly calculated by executing a single line of command. Some people may want to use “Microsoft Excel” or similar software for this purpose. Crear un histograma con Data Analysis ToolPak funciona para todas las versiones de Excel (incluyendo Excel 2016). In this tutorial, we will learn how to calculate the average, standard deviation, maximum and minimum values of physical quantities obtained by analyzing trajectory data. Let’s download the tutorial file ( tutorial19-4.2.zip). ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |