Commit 7732a822 authored by cmaffeo2's avatar cmaffeo2
Browse files

Made oxDNA configuration writer use arbdmodel.debye_length if salt_concentration not provided

parent 5455d407
......@@ -1255,7 +1255,7 @@ E = 0 0 0
log_file,
num_steps = 1e6,
interaction_type = 'DNA2',
salt_concentration = 0.5,
salt_concentration = None,
print_conf_interval = None,
print_energy_every = None,
timestep = 0.003,
......@@ -1294,7 +1294,14 @@ E = 0 0 0
if max_backbone_force is not None:
max_backbone_force = 'max_backbone_force = {}'.format(max_backbone_force)
if interaction_type in ('DNA2',):
if salt_concentration is None:
try:
## units "80 epsilon0 295 k K / (2 (AA)**2 e**2/particle)" mM
salt_concentration = 9331.3126/self.debye_length**2
except:
salt_concentration = 0.5
salt_concentration = 'salt_concentration = {}'.format(salt_concentration)
else:
salt_concentration = ''
......
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