X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2Fstart.mat;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2Fstart.mat;h=0000000000000000000000000000000000000000;hb=4ca8f6aee2f8fefe2c2284aeec58aadb1eda3d84;hp=c3998c286db2871df6fd37aca66c97c7298fcffb;hpb=3aade84f33fc38dfc730d86a0bee9133c8a8af97;p=unres.git diff --git a/examples/unres/MD/ff_1l2y_1le1/MREMD/start.mat b/examples/unres/MD/ff_1l2y_1le1/MREMD/start.mat deleted file mode 100755 index c3998c2..0000000 --- a/examples/unres/MD/ff_1l2y_1le1/MREMD/start.mat +++ /dev/null @@ -1,12 +0,0 @@ -#PBS -N L2Y -#PBS -q dque -#PBS -l nodes=4:ppn=8 -#PBS -l mem=2gb -#PBS -l walltime=03:00:00 - -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 -