dpos — APBS-PDB2PQR 1.6 documentation

# dpos

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.

Warning

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