forgot the lattice constant

[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
 
-./mdrun -c ./config -s $1
+cp -v config $1/config
+
+time ./mdrun -c ./config -s $1
 
 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
-
-               # copy config
-               cp -v config $1/config
        fi
 fi