Dear APBS users,
I am successfully using the APBS to calculate electrostatic potential for the protein by introducing the influence of the membrane and heterogeneous dielectric environment. Now I am trying to calculate the values of the electrostatic Forces by using calcforce comps, but apbs will not run at all. Can you please tell me if there is some rule how this keyword should be used for this kind of calculations. I tried to use it same way the pot and atompot keywords are used but all attempts failed.
When testing the force calculations on protein without membrane, it seems to be forking ok.
Department of Physics
University of Houston
3201 Cullen Blvd
202 HSC, Rm 323D
Houston, TX, 77204-5002
*I can do what I will: I can, if I will, give everything I have to the poor and thus become poor myself — if I will! But I cannot will this, because the opposing motives have much too much power over me for me to be able to. On the other hand, if I had a different character, even to the extent that I were a saint, then I would be able to will it. But then I could not keep from willing it, and hence I would have to do so.*