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