This command has been ported to the new APBS syntax (see YAML- and JSON-format input files): see Nonpolar.displacement() for more information.

This is the displacement used for finite-difference-based calculations of surface area derivatives. I know, this is a terrible way to calculate surface area derivatives – we’re working on replacing it with an analytic version. In the meantime, please use this parameter with caution. If anyone has code for a better method, please share!

The syntax is:

dpos {displacement}

where displacement is a floating point number indicating the finite difference displacement for force (surface area derivative) calculations in units of Å.


This parameter is very dependent on sdens (see sdens); e.g., smaller values of dpos require larger values of sdens.