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solved issue 84 indeed #85

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solved issue 84 indeed #85

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3 changes: 2 additions & 1 deletion alchemical_analysis/parser_gromacs.py
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Original file line number Diff line number Diff line change
Expand Up @@ -299,7 +299,8 @@ def parseLog(self):
equilsnapshots = int(round(equiltime/f.snap_size))
f.skip_lines += equilsnapshots

extract_states = numpy.genfromtxt(f.filename, dtype=int, skiprows=f.skip_lines, skip_footer=1*bLenConsistency, usecols=1)
extract_states = numpy.genfromtxt(f.filename, dtype=float, skip_header=f.skip_lines, skip_footer=1*bLenConsistency, usecols=1)
extract_states = extract_states.astype(int)
nsnapshots[nf] += numpy.array(Counter(extract_states).values())

else:
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