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Commit 7c3f6e67 authored by Gerardo Tauriello's avatar Gerardo Tauriello
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SCHWED-924: added check for ATTN entries in antechamber output.

parent 4e11731d
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......@@ -228,6 +228,10 @@ def _ParseAmberForceField(filename):
ff_dict[keyword] = []
line = in_file.next()
while len(line.strip()) > 0:
# check for warnings
if 'ATTN' in line:
ost.LogWarning('The following line in ' + filename + ' (' + keyword +\
' section) needs revision:\n' + line.strip())
# fixed column format -> extract entries dep. on current keyword
if keyword == 'MASS':
atype = line[0:2].strip()
......
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