md_scal_fric = forms.FloatField(label='scal_froc',initial=0.02,
help_text='scaling of the friction coefficients (Langevin)')
md_respa = forms.BooleanField(required=False,initial=True,label='RESPA')
- md_mdpdb = forms.BooleanField(required=True,label='trajectory as PDB')
+ md_mdpdb = forms.BooleanField(required=False,label='trajectory as PDB')
boxx = forms.FloatField(label='Box X',initial=1000.0,
help_text='box x dimension')
md_lang = models.CharField(max_length=10,choices=MD_LANG,default='langevin')
md_tau = models.FloatField(default=1.0)
md_scal_fric = models.FloatField(default=0.02)
- md_mdpdb = models.BooleanField(default=False)
+ md_mdpdb = models.BooleanField(default=True)
md_seq = models.TextField(max_length=2000,default='')
md_2d = models.TextField(max_length=2000,default='')
md_total_steps = models.IntegerField(default=200000)