set protein2 = 1UDI_B.pdb
# Provide number of steps in milions
-set nstep = 0.5
+set nstep = 0.05
# Provide number of clusters
set nclust = 10
set temper = 300
# Provide UNRES instalation pathway
-set UNRES = /users2/vetinari/unres_hom_m/unres/
+set UNRES = /users2/vetinari/unres_hom_m/unres
################################################################################
sed -e "s=UUU=$UNRES=" start_unres_example.mat > start_unres.mat
sed -e "s=UUU=$UNRES=" start_wham_example.mat > start_wham.mat
-sed -e "s=UUU#=$UNRES=" start_cluster_example.mat > start_cluster.mat
+sed -e "s=UUU=$UNRES=" start_cluster_example.mat > start_cluster.mat
# Generation of initial orientations
rm seq_raw
set range1 = `echo $nstep2 / 2500 | bc | awk -F "." '{print $1}'`
-set range1 = `echo $range1 \* 24 | bc`
+set range1 = `echo $range1 | bc`
set div = `echo 12000 \* 10 / 24 | bc | awk -F "." '{print $1}'`
set range0 = `echo $range1 - $div | bc | awk -F "." '{print $1}'`
if ($range0 < 0 ) then