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This is an AWK script, to get the number of conformer and energy of a Macromodel conformation search
#!/bin/awk -f
BEGIN{
}
{n = 0
if ($1 ~ /i_mmod_Conformation/) {
getline
getline
getline
getline
getline
getline
getline
getline
n= $1
getline
{
if($1 != 1){
print $1,n
}
{
}
}