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removed the +
[physik/posic.git]
/
runmd
diff --git
a/runmd
b/runmd
index
c09780c
..
d50d9ae
100755
(executable)
--- a/
runmd
+++ b/
runmd
@@
-12,7
+12,9
@@
fi
./clean $1
./clean $1
-./mdrun -c ./config -s $1
+cp -v config $1/config
+
+time ./mdrun -c ./config -s $1
if [ "$?" == "0" ]; then
#./perms
if [ "$?" == "0" ]; then
#./perms
@@
-30,8
+32,5
@@
if [ "$?" == "0" ]; then
# old rasmol
#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
./ppm2avi $1
# old rasmol
#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
./ppm2avi $1
-
- # copy config
- cp -v config $1/config
fi
fi
fi
fi