[Pdb2pqr-users] 70000 atom APBS calculation

[Kotaro K. <kelleykk@MIT.EDU>]

Hi, I am trying to calculate an electrostatic calculation for a pdb structure containing 70000 atoms. I can run pdb2pqr fine from the command line. When I go to run apbs with this input file, the program tries to access way more than the 16 GB of ram available on my computer. This causes the computer to essentially freeze. If I leave it overnight, the process is killed by the OS or the program. Is there any work around to this problem? Is it possible to make an exception to the 10000 atom limit on the web servers? Thank you.