X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2Fstart.mat;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2Fstart.mat;h=0000000000000000000000000000000000000000;hp=25089bc627da11933b7cde07a872c24c1079bf93;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/start.mat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/start.mat deleted file mode 100755 index 25089bc..0000000 --- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/start.mat +++ /dev/null @@ -1,12 +0,0 @@ -#PBS -N Ber-gab-MD -#PBS -q dque -#PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb -#PBS -l walltime=2:00:00 - -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 -