|
When Bob has finished saving his VMD state, he goes to the NAMD Configuration File Generator tool. This tool creates an input file for NAMD, the Theoretical and Computational Biophysics Group's molecular dynamics simulation tool. Creating a file manually can be quite complicated, but BioCoRE's Configuration File Generator makes it much easier. The Configuration File Generator divides the input file into several sections, with each section describing a category of input parameters. The Generator checks the input, disallowing certain fields if they are not applicable, and checking values to make sure they are within a correct range. When Bob has filled out all the necessary values, he saves the file.
|
(Click here for a more detailed image)
|
