From 115d8d7c4487a4328e2a12c07851b037679dfb27 Mon Sep 17 00:00:00 2001 From: Steve Plimpton Date: Thu, 26 Aug 2021 15:12:02 -0600 Subject: [PATCH] update Tinker conversion tool --- tools/tinker2lmp.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/tools/tinker2lmp.py b/tools/tinker2lmp.py index 3f5bb90f8a..9b4aec3a5f 100644 --- 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":