update Tinker conversion tool

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