X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=runmd;h=541734bc431d80fc4505df537fe3695a569125a3;hp=5db09fdbb12520d8d3a90b1eaf9d6d915fd2dec9;hb=40f91e7d7cb98fedd86bc4e3178021f687190550;hpb=1bcee27b60522025d3f43ad02347c413f6030698

diff --git a/runmd b/runmd
index 5db09fd..541734b 100755
--- a/runmd
+++ b/runmd
@@ -8,13 +8,14 @@ if [ ! -f ./config ]; then
 	exit
 fi
 
-[ ! -d $1 ] && mkdir $1
+[ ! -d $1 ] && mkdir -p $1
 
 ./clean $1
 
 cp -v config $1/config
 
-./mdrun -c ./config -s $1
+mkdir -p logs
+time ./mdrun -c ./config -s $1 | tee logs/run_`basename $1`.log
 
 if [ "$?" == "0" ]; then
 	#./perms
@@ -24,7 +25,7 @@ if [ "$?" == "0" ]; then
 
 		# center unit cell
 		./visualize -w 640 -h 480 -d $1 \
-		            -nll -0.56 -0.56 -0.56 -fur 0.56 0.56 0.56 \
+		            -nll -0.56 -0.56 -0.76 -fur 0.56 0.56 0.56 \
 			    -b -0.5 -0.5 -0.5 0.5 0.5 0.5 \
 			    -c -0.2 -2.0 0.6 -L 0 0 -0.1 \
 			    -r 0.6 -B 0.1