biobb_gromacs/gromacs/mdrun.py
4
W293:
blank line contains whitespace
210
238
245
270
1
E302:
expected 2 blank lines, found 1
282
def
mdrun
(
input_tpr_path
:
str
,
output_gro_path
:
str
,
output_edr_path
:
str
,