Hi, everyone.
I have been calculating the interaction between mineral and surfactant in Discover. The mineral and surfactant can be calculated sololy, but failed when they are put in one box. I am confusd about the error as following:
Error: tensor element equals to 0 for a divide operation
while executing
"vector temp divide \$temp \$nb_Bij"
invoked from within
"if {\$combination == "sixth_power"} {
vector ones fill 1.0 \$nType
vector ones vectorTranspose \$ones
vector nb_r vectorTranspose \$nb_r
..."
(procedure "baseTailCorrection" line 55)
invoked from within
"baseTailCorrection \$vdWTail(cutoff)"
invoked from within
"if {![info exists vdWTail(energy)]} {
set vdWTail(cutoff) \$r_cutoff
baseTailCorrection \$vdWTail(cutoff)
} else {
if {\$r_cutoff != \$vdWTa ..."
(procedure "fullTailCorrection" line 22)
invoked from within
"fullTailCorrection \$cutoff_onoffsw \$printOnly"
invoked from within
"if {!\$printOnly} {
fullTailCorrection \$cutoff_onoffsw \$printOnly
puts "NOTE: Pressure and energy tail corrections will be added to all subsequ ..."
(procedure "vdWTailCorrection" line 65)
invoked from within
"vdWTailCorrection 9.50"
Could anyone kindly help me?
Happy holidays.
realzhen