Question

MAWS.py是一个使用Amber/AmberTools作为计算平台的已有4年历史的程序。尽管我遵循程序用户指南的说明，但我不知道如何调试和找到raise self._value IndexError: list index out of range

的解决方案

我用更新的琥珀色ff代替了MAWS.py中指定的力场（ff）。

由于我不熟悉python代码以及可能在哪里生成错误，我建议从GitHub Repository下载https://github.com/igemsoftware/Heidelberg_15

的MAWS.py代码

python3 MAWS_rev1.py -b 0.01 -i 200 -s 200 -l 15 -t 0.01 -f pdb -y HYBRID Prot1a.frcmod /home/bcramer/workdir-amber/Prot_1/
['DGN', 'DAN', 'DTN', 'DCN']
Choosing from candidates ...
Constructing Ligand/Aptamer complex ...
Constructing Ligand/Aptamer complex ...
etc..................
Loading Aptamer/Ligand complex ...
multiprocessing.pool.RemoteTraceback: 
"""
Traceback (most recent call last):
  File "/home/bcramer/miniconda3/lib/python3.7/multiprocessing/pool.py", line 121, in worker
    result = (True, func(*args, **kwds))
  File "/home/bcramer/miniconda3/lib/python3.7/multiprocessing/pool.py", line 44, in mapstar
    return list(map(*args))
  File "MAWS_rev1.py", line 1090, in initial
    ligand_range = get_ligand_range(aptamer_top.topology)
  File "MAWS_rev1.py", line 197, in get_ligand_range
    return [get_ligand(topology)[0], len(get_ligand(topology))]
IndexError: list index out of range
"""

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "MAWS_rev1.py", line 1357, in <module>
    positions_and_Ntides = loop()
  File "MAWS_rev1.py", line 1237, in loop
    pos_Nt_S_task = pool.map(initial, alphabet)
  File "/home/bcramer/miniconda3/lib/python3.7/multiprocessing/pool.py", line 268, in map
    return self._map_async(func, iterable, mapstar, chunksize).get()
  File "/home/bcramer/miniconda3/lib/python3.7/multiprocessing/pool.py", line 657, in get
    raise self._value
IndexError: list index out of range

Prgm_MAWS：“ IndexError：列表索引超出范围”

0 个答案: