added set_temp and set_timestep stages

[physik/posic.git] / runmd_rx200

diff --git a/runmd_rx200 b/runmd_rx200
index 9368141576abff90d993d7fb2fd821b37e46e250..4e4966eabf14fa7b556c043ca1e5b6d0ddea8c77 100755 (executable)
--- a/runmd_rx200
+++ b/runmd_rx200
@@ -23,22 +23,5 @@ cat > run_$rf <<-EOF
 EOF
 
 # submit job
 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 $1
-       fi
-fi
+qsub -q all.q run_$rf
+