]> www.hackdaworld.org Git - physik/posic.git/blob - runmd_rx200
fixed attrr region + ifdef'ed constraints along 110 + write final save and visual...
[physik/posic.git] / runmd_rx200
1 if [ -z "$1" ]; then
2         exit
3 fi
4
5 if [ ! -f ./config ]; then
6         exit
7 fi
8
9 [ ! -d $1 ] && mkdir $1
10
11 ./clean $1
12
13 cp -v config $1/config
14
15 # create run file
16 rf=`basename $1`
17 cat > run_$rf <<-EOF
18 #!/bin/bash
19 #$ -cwd
20
21 ./mdrun -c ./config -s $1
22
23 EOF
24
25 # submit job
26 qsub -q all.q run_$rf
27