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Hi there,
I have settings.cfg but have to change ConfPrune.pyx as ConfPrune.py, otherwise, the PyDP4.py can't find ConfPrune.
I tried to run the sample AT1.sdf.
Running "PyDP4.py -s chloroform -m m -B 6-311g* -F mPW1PW91 --AssumeDFTDone AT1_ AT1NMR" in the ./MM/ file show error
File "/home/tj/DP5_master/ConfPrune.py", line 37
cdef long int c1, c2
^^^^
SyntaxError: invalid syntax
would you like to help me to fix it?
Thanks
The text was updated successfully, but these errors were encountered:
Hi there,
I have settings.cfg but have to change ConfPrune.pyx as ConfPrune.py, otherwise, the PyDP4.py can't find ConfPrune.
I tried to run the sample AT1.sdf.
Running "PyDP4.py -s chloroform -m m -B 6-311g* -F mPW1PW91 --AssumeDFTDone AT1_ AT1NMR" in the ./MM/ file show error
File "/home/tj/DP5_master/ConfPrune.py", line 37
cdef long int c1, c2
^^^^
SyntaxError: invalid syntax
would you like to help me to fix it?
Thanks
The text was updated successfully, but these errors were encountered: