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Field
matthew-hennefarth edited this page Jun 11, 2021
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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).
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.
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