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update Tinker conversion tool

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This commit is contained in:
Steve Plimpton
2021-08-26 15:12:02 -06:00
parent 29d5505f43
commit 115d8d7c44
1 changed files with 3 additions and 1 deletions
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4
tools/tinker2lmp.py
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@ -194,7 +194,9 @@ class PRMfile:
if iline < 0: return params if iline < 0: return params
iline += 3 iline += 3
while iline < self.nlines: while iline < self.nlines:
words = self.lines[iline].split() line = self.lines[iline]
line = line[:line.find("!!")]
words = line.split()
if len(words): if len(words):
if words[0].startswith("###########"): break if words[0].startswith("###########"): break
if words[0] == "angle" or words[0] == "anglep": if words[0] == "angle" or words[0] == "anglep":