X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fjobfiles.py;h=3fc077f20169fb166c081ad67bef079205962856;hb=e0e7c8852118f1e9fc1b66a5a45c86e21abef7b2;hp=048e03092ec353681e72250e936db49185bb11e0;hpb=6776e7c469a38ab58676c9dda3b17d1971d90e0b;p=django_unres.git diff --git a/django_simple/todo/jobfiles.py b/django_simple/todo/jobfiles.py index 048e030..3fc077f 100644 --- a/django_simple/todo/jobfiles.py +++ b/django_simple/todo/jobfiles.py @@ -245,7 +245,7 @@ CUTOFF=7.00000 WCORR4=0.00000 f2.write(line.replace('#PBS -l nodes=4:ppn=4', pbs)) else: tmp1=json.loads(instance.remd_multi_t) - f2.write(line.replace('$temperatures','"'+" ".join(tmp1)+'"')) + f2.write(line.replace('$temperatures','"'+" ".join(tmp1)+'" '+str(nreplicas))) f1.close() f2.close() os.chdir('..')