X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2Fstart.mat;h=b9cf3117386e83eba612ec57071f0e30f8ae907a;hb=6167581cc7c0c42fe1515b9ecf7e19cc8466b727;hp=25089bc627da11933b7cde07a872c24c1079bf93;hpb=3d715fcd9a4c5ccea28a8e33a8e150be82aa0cec;p=unres.git diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat b/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat index 25089bc..b9cf311 100755 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Ber-gab-MD +#PBS -N Ber-gab-micro #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 "