Skip to content
matthew-hennefarth edited this page Jun 11, 2021 · 2 revisions

We can use the field key to specify locations where we want to compute the electric field at. We can also plot the field at specific points along some molecular dynamic trajectory within the advanced block command (see below).

Simple Command

Using the simple command we can specify different locations to evaluate the field

field 0:0:0 B:4:C100

this will compute the field at both the origin (0:0:0) and the C100 atom of residue 4 on chain B. This data will be printed to standard out.

Block Command

The block command is specified using %field and terminated with the end keyword. The following are the available options

%field
    locations 0:0:0 1:1:1 # list of locations to evaluate the field at
    plot x y z m # Specifies which components to plot (if any). 
                 # Can plot projection of x, y, z, or m (magnitude) in the basis specified by align

    output field.dat # specifies an output file to store the resulting data in, will also print to stdout
end
Clone this wiki locally