X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2FCLUSTER%2FCSA%2Fcluster-unres.csh;fp=examples%2FCLUSTER%2FCSA%2Fcluster-unres.csh;h=89401ba380ddffce81fdfad8e9395f21a83aa1a0;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/CLUSTER/CSA/cluster-unres.csh b/examples/CLUSTER/CSA/cluster-unres.csh
new file mode 100755
index 0000000..89401ba
--- /dev/null
+++ b/examples/CLUSTER/CSA/cluster-unres.csh
@@ -0,0 +1,36 @@
+#!/bin/csh -f
+# Script to run the program unres (serial version).
+#
+if ($#argv<2) then
+  echo "USAGE: unres_clust.csh INPUT INTIN [OUTPUT]"
+  exit (1)
+endif
+
+set BIN = /users/bartek/UNRESPACK/unres/bin/cluster
+setenv INPUT $1
+setenv INTIN $2
+if ($#argv<3) then
+  setenv OUTPUT $2
+else
+  setenv OUTPUT $3
+endif
+
+# Check for the existence of the input file
+
+if (!(-e $1.inp)) then
+  echo "Error: The input file $1.inp does not exist."
+  exit(1)
+endif
+
+if (!(-e $2.int)) then
+  echo "Error: The input internal coordinate file $2.int does not exist."
+  exit(1)
+endif
+
+time ${BIN}/unres_clustMD
+
+# Clear empty files
+foreach zbior (`/bin/ls ${INTIN}.* ${OUTPUT}.* `)
+  ls -l $zbior
+  if (-z $zbior) /bin/rm $zbior
+end