X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=runmd;h=5db09fdbb12520d8d3a90b1eaf9d6d915fd2dec9;hb=1bcee27b60522025d3f43ad02347c413f6030698;hp=c09780c68380f97389194234010e8c19e5145aa7;hpb=0d1dfb1e5027d215fced8ca306dd658f692a2a44;p=physik%2Fposic.git diff --git a/runmd b/runmd index c09780c..5db09fd 100755 --- a/runmd +++ b/runmd @@ -12,6 +12,8 @@ fi ./clean $1 +cp -v config $1/config + ./mdrun -c ./config -s $1 if [ "$?" == "0" ]; then @@ -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