file=1l2y_csa_4P.CSA.history
elif [ "$1" == "1l2y_csa_local_4P" ]; then
file=1l2y_csa_local_4P.CSA.history
+elif [ "$1" == "1l2y_csa" ]; then
+ file=1l2y_csa.CSA.history
+elif [ "$1" == "1l2y_csa_local" ]; then
+ file=1l2y_csa_local.CSA.history
else
exit 1
fi
echo 'ERROR difference from reference emin 200.13486 greater than 5.0'
exit 1
fi
+elif [ "$1" == "1l2y_csa" ]; then
+ echo 'difference ' `echo "a=$emin-29.92824;if(0>a)a*=-1;a"|bc -l` ' from reference emin 29.92824'
+ if [ `echo "a=$emin-29.92824;if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
+ echo 'ERROR difference from reference emin 29.92824 greater than 5.0'
+ exit 1
+ fi
+elif [ "$1" == "1l2y_csa_local" ]; then
+ echo 'difference ' `echo "a=$emin-31.52677;if(0>a)a*=-1;a"|bc -l` ' from reference emin 31.52677'
+ grep rms 1l2y_csa_local_4P*.pdb
+ if [ `echo "a=$emin-31.52677;if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
+ echo 'ERROR difference from reference emin 31.52677 greater than 5.0'
+ exit 1
+ fi
+
fi