X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fmodels.py;h=ba4f3cb69123437522fe6f2f67ffb8e0de77b037;hb=e6952112c3c270c93a61b721cd8840b483a52621;hp=f9007694d3b4ff816ff541e637a18da5520783a8;hpb=92a0048a27b19550c30d6cdec60add3234227f57;p=django_unres.git diff --git a/django_simple/todo/models.py b/django_simple/todo/models.py index f900769..ba4f3cb 100644 --- a/django_simple/todo/models.py +++ b/django_simple/todo/models.py @@ -9,7 +9,7 @@ import json MIN_CHOICE = (('minimize cart','minimize'),('minimize regular','regularize'),('minimize softreg','soft regularize'),('minimize','minimize internal coordinates')) MD_START= (('extconf','extended chain'),('pdbstart','start from pdb'),('rand_conf','random chain')) MD_LANG = (('langevin','Langevin'),('berendsen','Berendsen')) -FF_CHOICE = (('FF2','FF2 = JCC 30 2127 (2009) + JCTC 11 817-831 (2015)'),('opt-wtfsa-2','OPT-WTFSA-2 = JCIM 57 2364-2377 (2017)')) +FF_CHOICE = (('FF2','FF2 = JCC 30 2127 (2009) + JCTC 11 817-831 (2015)'),('opt-wtfsa-2','OPT-WTFSA-2 = JCIM 57 2364-2377 (2017)'),('NEWCT-9P','NEWCT-9P = JCP 150 155104 (2019)')) logger = logging.getLogger(__name__)