biobb_gromacs/gromacs_extra/ndx2resttop.py
4
E221:
multiple spaces before operator
127
stop
=
groups_dic
[
key
][
1
]
174
found_molecule
=
False
270
restrain_atoms
=
self
.
_read_ndx_atoms
(
ndx_lines
,
groups_dic
,
restrain_group
)
271
selected_atoms
=
[
reference_atoms
.
index
(
atom
)
+
1
for
atom
in
restrain_atoms
]
1
E241:
multiple spaces after ','
206
lines
.
insert
(
index
,
'
\n
'
)
biobb_gromacs/gromacs_extra/ndx2resttop.py