From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 17 Oct 2019 12:05:30 +0000 (+0200)
Subject: preminim cart NEWCT-9P
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=cba1e1caa3183c0a655aa671a0a4a78b60931665;p=django_unres.git

preminim cart NEWCT-9P
---

diff --git a/django_simple/todo/jobfiles.py b/django_simple/todo/jobfiles.py
index 32deb54..e38d7ae 100644
--- a/django_simple/todo/jobfiles.py
+++ b/django_simple/todo/jobfiles.py
@@ -156,7 +156,7 @@ CUTOFF=7.00000 WCORR4=0.00000"""
              control_line = control_line+'pdbref '
              
           if instance.unres_ff =='NEWCT-9P':
-            control_line = control_line+'tormode=2 '
+            control_line = control_line+'tormode=2 cart'
             
           type_line = '        reset_vel=0'\
              +' t_bath='+str(instance.md_temp)\
@@ -189,7 +189,7 @@ CUTOFF=7.00000 WCORR4=0.00000"""
              control_line = control_line+'pdbref '
              
           if instance.unres_ff =='NEWCT-9P':
-            control_line = control_line+'tormode=2 '
+            control_line = control_line+'tormode=2 cart'
           
           cntrl_saxs=''
           if instance.saxs_data != '':