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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':
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