X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2FCLUSTER%2Fcluster-unres.csh;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2FCLUSTER%2Fcluster-unres.csh;h=89401ba380ddffce81fdfad8e9395f21a83aa1a0;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/CLUSTER/cluster-unres.csh b/examples/unres/CSA/GAB/CSA/CLUSTER/cluster-unres.csh new file mode 100755 index 0000000..89401ba --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/CLUSTER/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