From 146d0cea616e86048323083dc3eb9c5df308d331 Mon Sep 17 00:00:00 2001
From: ISDementyev <65086972+ISDementyev@users.noreply.github.com>
Date: Fri, 22 Oct 2021 12:22:34 -0400
Subject: [PATCH] Added condition

Run will crash without this, if implicit solvent is False.
---
 opendna.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/opendna.py b/opendna.py
index e23a104..202b627 100644
--- a/opendna.py
+++ b/opendna.py
@@ -151,7 +151,9 @@ def setup(self):
 
         # copy relevant files to the workDir
         os.mkdir(self.workDir + '/outfiles')
-        copyfile(self.params['leap template'], self.workDir + '/leap_template.in')
+        
+        if self.params['implicit solvent']:
+            copyfile(self.params['leap template'], self.workDir + '/leap_template.in')
         # copy structure files
         copyfile(self.params['analyte pdb'], self.workDir + '/analyte.pdb')  # ie, target of the aptamer