X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2FNose_Hoover%2Fff_gab%2Fstart.mat;h=d4f858d03b08244d2ee640dd8aad7bab1fec52b9;hb=6167581cc7c0c42fe1515b9ecf7e19cc8466b727;hp=fa3c7f7dfdc50d19a35b8858892801f52fc4b5cc;hpb=3d715fcd9a4c5ccea28a8e33a8e150be82aa0cec;p=unres.git diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/start.mat b/examples/unres/MD/Nose_Hoover/ff_gab/start.mat index fa3c7f7..d4f858d 100755 --- a/examples/unres/MD/Nose_Hoover/ff_gab/start.mat +++ b/examples/unres/MD/Nose_Hoover/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Nose-gab-MD +#PBS -N NH-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 "