+++ /dev/null
-Index: acpype.py
-===================================================================
---- acpype.py (revision 366)
-+++ acpype.py (working copy)
-@@ -3020,32 +3020,6 @@
- acMol2FileName = '%s_%s_%s.mol2' % (base, chargeType, atomType)
- self.acMol2FileName = acMol2FileName
- self.charmmBase = '%s_CHARMM' % base
-- # check for which version of antechamber
-- if 'amber10' in self.acExe:
-- if qprog == 'sqm':
-- self.printWarn("SQM is not implemented in AmberTools 1.2")
-- self.printWarn("Setting mopac for antechamber")
-- qprog = 'mopac'
-- elif qprog == 'divcon':
-- if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
-- self.printWarn("DIVCON is not installed")
-- self.printWarn("Setting mopac for antechamber")
-- qprog = 'mopac'
-- elif 'amber11' in self.acExe:
-- if qprog == 'divcon':
-- self.printWarn("DIVCON is not implemented in AmberTools 1.3 anymore")
-- self.printWarn("Setting sqm for antechamber")
-- qprog = 'sqm'
-- elif qprog == 'mopac':
-- if not os.path.exists(os.path.join(os.path.dirname(self.acExe), qprog)):
-- self.printWarn("MOPAC is not installed")
-- self.printWarn("Setting sqm for antechamber")
-- return None
-- qprog = 'sqm'
-- else:
-- self.printWarn("Old version of antechamber. Strongly consider upgrading to AmberTools")
-- self.printWarn("Setting mopac for antechamber")
-- qprog = 'mopac'
- self.qFlag = qDict[qprog]
- self.outTopols = [outTopol]
- if outTopol == 'all':