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avgrst fix + introduced px,py,pz into moldyn (for future use)
[physik/posic.git]
/
runmd_rx200
diff --git
a/runmd_rx200
b/runmd_rx200
index
1bf24f8
..
9368141
100755
(executable)
--- a/
runmd_rx200
+++ b/
runmd_rx200
@@
-7,8
+7,11
@@
if [ ! -f ./config ]; then
fi
[ ! -d $1 ] && mkdir $1
fi
[ ! -d $1 ] && mkdir $1
+
./clean $1
./clean $1
+cp -v config $1/config
+
# create run file
rf=`basename $1`
cat > run_$rf <<-EOF
# create run file
rf=`basename $1`
cat > run_$rf <<-EOF
@@
-37,8
+40,5
@@
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 and main prog
- cp -v config $1/config
fi
fi
fi
fi