X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FBER%2Fstart.mat;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FBER%2Fstart.mat;h=0000000000000000000000000000000000000000;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=c90260ea508330ecdad25b991ef6823eaecce40a;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/MD/ff_1l2y_1le1/MD/BER/start.mat b/examples/unres/MD/ff_1l2y_1le1/MD/BER/start.mat deleted file mode 100755 index c90260e..0000000 --- a/examples/unres/MD/ff_1l2y_1le1/MD/BER/start.mat +++ /dev/null @@ -1,12 +0,0 @@ -#PBS -N L2Y -#PBS -q dque -#PBS -l nodes=1:ppn=1 -#PBS -l mem=2gb -#PBS -l walltime=00:10:00 - -setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " -setenv NPROCS `cat $PBS_NODEFILE | wc -l` - -cd $PBS_O_WORKDIR -$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh -