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Merge pull request #25 from libefp2/jack
comment fixes2
2 parents a18f323 + 805061b commit 3e1bb33

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examples/flex-EFP/Scripts/make_AAs.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -111,7 +111,7 @@ def make_inp(fragment, QMs, POLs):
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elif(fragment[4].split()[1][0]=='C'):
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charge=-1
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else:
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charge = '0'
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charge = 0
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if fragment[4].split()[1] in known_amino_acids:
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filename = amino_acid_dict[fragment[4].split()[1]] + '_' + fragment[4].split()[0] + '_' + fragment[0].split()[3] + '.inp'

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