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Protein Interaction Property Similarity Analysis


Template input file used for APBS calculations

All constructs of the form @{xyz}, or $xyz will be replaced by details concerning the respective calculation.
read
mol pqr @{inputPqr}
end
 
elec name viz
mg-manual
dime @{gridSize} @{gridSize} @{gridSize}
nlev 4
glen 96 96 96
gcent  0.0 0.0 0.0 
mol 1
lpbe
bcfl sdh
ion  1 0.050 1.500
ion -1 0.050 1.500
pdie 1.0
sdie 78.00
chgm spl0
srfm smol
srad 0.0
swin 0.3
temp 
gamma 0.105
write pot uhbd @{outputGrd}
end
 
quit