From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 12 Apr 2018 18:50:04 +0000 (+0200)
Subject: limits for nstep<10000000 and ntwx>100
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=4b14f6210506348ab056e27f4eaf69e4ffa1cae6;p=django_unres.git

limits for nstep<10000000 and ntwx>100
---

diff --git a/django_simple/todo/forms.py b/django_simple/todo/forms.py
index 45e78bf..0feee49 100644
--- a/django_simple/todo/forms.py
+++ b/django_simple/todo/forms.py
@@ -208,7 +208,7 @@ class TaskForm_md(forms.Form):
      md_temp = forms.FloatField(label='temperature',initial=300,
                   help_text='bath temperature')
      md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
-                  help_text='total number of steps')
+                  help_text='total number of steps',max_value=10000000)
      md_seed = forms.IntegerField(label='SEED',initial=-39912345,
                   help_text='seed for random number generator')
                   
@@ -271,14 +271,14 @@ class TaskForm_md_a(forms.Form):
      md_temp = forms.FloatField(label='temperature',initial=300,
                   help_text='bath temperature')
      md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
-                  help_text='total number of steps')
+                  help_text='total number of steps',max_value=10000000)
      md_seed = forms.IntegerField(label='SEED',initial=-39912345,
                   help_text='seed for random number generator')
 
      md_ntwe = forms.IntegerField(label='NTWE',initial=1000,
                help_text='write statfile every ntwe steps')
      md_ntwx = forms.IntegerField(label='NTWX',initial=1000,
-               help_text='write trajectory every ntwe steps')
+               help_text='write trajectory every ntwe steps',min_value=100)
      md_dt = forms.FloatField(label='DT',initial=0.2,
                   help_text='time step [mtu=48.9 fs]')
      md_lang = forms.ChoiceField(choices=MD_LANG,label='thermostat')
@@ -351,7 +351,7 @@ class TaskForm_remd(forms.Form):
       label='or PDB code (:chain)')                   
      md_pdbref = forms.BooleanField(required=False,label='PDB reference structure')                  
      md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
-                  help_text='total number of steps')
+                  help_text='total number of steps',max_value=10000000)
      md_seed = forms.IntegerField(label='SEED',initial=-39912345,
                   help_text='seed for random number generator')
                   
@@ -410,7 +410,7 @@ class TaskForm_remd_a(forms.Form):
       label='or PDB code (:chain)')                   
      md_pdbref = forms.BooleanField(required=False,label='PDB reference structure')                  
      md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
-                  help_text='total number of steps')
+                  help_text='total number of steps',max_value=10000000)
      md_seed = forms.IntegerField(label='SEED',initial=-39912345,
                   help_text='seed for random number generator')
      md_ntwe = forms.IntegerField(label='NTWE',initial=1000,
@@ -429,7 +429,7 @@ class TaskForm_remd_a(forms.Form):
                   help_text='number of replicas')
      remd_nstex = forms.IntegerField(label='NSTEX',initial=1000,
                   help_text='exchange and write trajectory every nstex steps')
-     md_ntwx = forms.IntegerField(label='NTWX',initial=1000,
+     md_ntwx = forms.IntegerField(label='NTWX',initial=1000,min_value=100,
                help_text='write trajectory every ntwx steps')
      remd_cluter_temp = forms.FloatField(label='TEMPER',
                   help_text='temperature for cluster analysis',initial=280)                  
@@ -513,7 +513,7 @@ class TaskForm_dock(forms.Form):
 
 
      md_nstep = forms.IntegerField(label='NSTEP',initial=200000,
-                  help_text='total number of steps')
+                  help_text='total number of steps', max_value=10000000)
      md_seed = forms.IntegerField(label='SEED',initial=-39912345,
                   help_text='seed for random number generator')