For me the script was not working completely without error messages, so I would suggest two changes in particular:
1) For the ValueError enclose the map() function with a list(map())
2) For the TypeError convert strings into bytes like so:
leap_script_ala3_bytes = leap_script_ala3_strin.encode('utf-8')
os.write(leap_script_ala3_file[0], leap_script_ala3_bytes)
anytime there is an os.write
I attached the script that worked for me. Hope it helps.
amber2openmm.txt
For me the script was not working completely without error messages, so I would suggest two changes in particular: 1) For the ValueError enclose the map() function with a list(map()) 2) For the TypeError convert strings into bytes like so: leap_script_ala3_bytes = leap_script_ala3_strin.encode('utf-8') os.write(leap_script_ala3_file[0], leap_script_ala3_bytes) anytime there is an os.write
I attached the script that worked for me. Hope it helps. amber2openmm.txt