X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2Fstart.mat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2Fstart.mat;h=0000000000000000000000000000000000000000;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=838fbc8db9e246eab797010ee567c5dd626fb45a;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/start.mat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/start.mat deleted file mode 100755 index 838fbc8..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/start.mat +++ /dev/null @@ -1,12 +0,0 @@ -#PBS -N Ber-gab -#PBS -q dque -#PBS -l nodes=2: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 -