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I was trying to run the example of the TABI-PB (Boundary Element Method) - link.
Running the following command: apbs 1a63_NanoShaper_SES.in gave the following error:
I didn't change the input file:
read
mol pqr test_proteins/1a63.pqr # PQR location
end
elec name comp_solv # Solvated complex
tabi
mol 1
ion charge 1 # sodium ions
conc 0.15
radius 0.95
ion charge -1 # chloride ions
conc 0.15
radius 1.81
pdie 1.0 # Solute dielectric
sdie 80.00 # Solvent dielectric
srad 1.4 # Solvent probe radius
sdens 1 # NO. of Elements per A^2
temp 300.00 # Temperature
tree_order 3 # taylor expansion order
tree_n0 500 # maxium particle per leaf
mac 0.8 # multipole acceptance criterion
mesh ses # mesh options: ses, skin. Options ses and skin require nonoshaper.
outdata 1 # outdata (0 - dat file, 1 - dat and VTK file)
end
quit
Anyone knows how to fix it?
The text was updated successfully, but these errors were encountered:
I was trying to run the example of the TABI-PB (Boundary Element Method) - link.
Running the following command:
apbs 1a63_NanoShaper_SES.in
gave the following error:I didn't change the input file:
Anyone knows how to fix it?
The text was updated successfully, but these errors were encountered: