3 if [ "$1" == "1L2Y_clust" ]; then
4 file=1L2Y_wham_T280K_ave.pdb
10 if [ ! -f $file ]; then
11 echo "CRITICAL: out $file does not exist"
15 fam=`grep THERE 1L2Y_clust_clust.out_000|awk '{print $3}'`
16 grep THERE 1L2Y_clust_clust.out_000
17 grep REMARK 1L2Y_wham*[1-9].pdb
19 if [ "$fam" != "5" ]; then
20 echo 'ERROR: number of families not equal 5'