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##########################################################################
# POTENTIAL CALCULATION EXAMPLE
##########################################################################
read
mol pqr mache.pqr
end
elec name viz
mg-manual
dime 129 129 129
glen 100 100 100
gcent mol 1
mol 1
lpbe
bcfl sdh
ion charge 1 conc 0.150 radius 2.0
ion charge -1 conc 0.150 radius 2.0
pdie 1.0
sdie 78.54
chgm spl0
srfm smol
srad 1.4
swin 0.3
sdens 10.0
temp 298.15
calcenergy total
calcforce no
write pot dx potential
write sspl dx accessibility
write kappa dx kappa
#write qdens dx charge-density
#write edens dx energy-density
write charge dx charge
end
quit
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