delphi grid resolution
Hi all,
I used delphi for electrostatic calculations on my protein in vacuum
with grid resolution 1.5 Angstrom/grid point and zero ionic strength.
However, it always end up not finishing the job (core dumped). THis
doesn't happen when i change the solvent dielectric to 80. Could
anybody
please suggest what can be done about it? I know a finer grid
resolution
will produce more accurate results but how fine should the grid
resolution be? With the crashes, I had to run mine with 2.5
Angstrom/grid point for both vacuum and water.
Any help would be much appreciated.
Thank you.
Rowyna Kueh
Postgraduate student
Universiti Malaya