Merge branch 'leadoff'

[physik/posic.git] / runmd_rx200

diff --git a/runmd_rx200 b/runmd_rx200
index 1bf24f8..4e4966e 100755 (executable)
--- a/runmd_rx200
+++ b/runmd_rx200
@@ -7,8 +7,11 @@ if [ ! -f ./config ]; then
 fi
 
 [ ! -d $1 ] && mkdir $1
+
 ./clean $1
 
+cp -v config $1/config
+
 # create run file
 rf=`basename $1`
 cat > run_$rf <<-EOF
@@ -20,25 +23,5 @@ cat > run_$rf <<-EOF
 EOF
 
 # submit job
-qsub run_$rf
-
-if [ "$?" == "0" ]; then
-       #./perms
-       if [ "$1" ] ; then
-               # whole simulation cell
-               #./visualize -w 640 -h 480 -d $1
-
-               # center unit cell
-               #./visualize -w 640 -h 480 -d $1 \
-               #            -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
-               #           -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
-               #           -r 0.6 -c 0.5 -11.0 2.5 -B 0.1
-
-               # old rasmol
-               #rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
-               #./ppm2avi $1
-
-               # copy config and main prog
-               cp -v config $1/config
-       fi
-fi
+qsub -q all.q run_$rf
+