avgrst fix + introduced px,py,pz into moldyn (for future use)
[physik/posic.git] / runmd_rx200
index 1bf24f8..9368141 100755 (executable)
@@ -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
@@ -37,8 +40,5 @@ if [ "$?" == "0" ]; then
                # 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